Crystallography Open Database

Information card for entry 7242909

Preview

Coordinates	7242909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 N O4
Calculated formula	C23 H29 N O4
SMILES	O=C1[C@@]2([C@H]([C@@H]3C=C[C@H](C)[C@]4(O)C(=O)NC(=O)[C@]134)C(=C[C@@H]1C[C@@H](CC[C@@H]21)C)C)C
Title of publication	3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae
Authors of publication	Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	31
Pages of publication	18827 - 18831
a	6.8544 ± 0.0003 Å
b	43.892 ± 0.0019 Å
c	6.7683 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2036.27 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0596
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265495 (current)	2021-05-26	cif/ Adding structures of 7242908, 7242909 via cif-deposit CGI script.	7242909.cif