Crystallography Open Database

Information card for entry 7158133

Preview

Coordinates	7158133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 Cl N8 O10
Calculated formula	C24 H35 Cl N8 O10
SMILES	Cl[C@@H]1CNN2C(=O)[C@@H](NC(=O)[C@@H]3N(N=C[C@H](O)[C@@H]3O)C(=O)COC(=O)[C@@](NC(=O)[C@H]3N(NCCC3)C(=O)[C@H]2C1)(CO)C)C
Title of publication	Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.
Authors of publication	Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	27
Pages of publication	6147 - 6159
a	6.7387 ± 0.0001 Å
b	9.5889 ± 0.0001 Å
c	44.6727 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2886.6 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268922 (current)	2021-09-06	cif/ Updating files of 7158133 Original log message: Adding full bibliography for 7158133.cif.	7158133.cif
266630	2021-06-23	cif/ Adding structures of 7158133 via cif-deposit CGI script.	7158133.cif