Crystallography Open Database

Information card for entry 7158092

Preview

Coordinates	7158092.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	P6(i-Bu)
Formula	C171.26 H177.04 N24 O31.26
Calculated formula	C171.259 H177.036 N24 O31.259
Title of publication	Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.
Authors of publication	Pang, Zhi; Qi, Ting; Li, Baolin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	25
Pages of publication	5555 - 5562
a	16.701 ± 0.0002 Å
b	20.4228 ± 0.0002 Å
c	24.065 ± 0.0002 Å
α	89.126 ± 0.001°
β	76.396 ± 0.001°
γ	87.174 ± 0.001°
Cell volume	7968.08 ± 0.14 Å³
Cell temperature	170 ± 0.15 K
Ambient diffraction temperature	170 ± 0.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.1204
Weighted residual factors for significantly intense reflections	0.3199
Weighted residual factors for all reflections included in the refinement	0.3236
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267237 (current)	2021-07-05	cif/ Updating files of 7158091, 7158092, 7158093 Original log message: Adding full bibliography for 7158091--7158093.cif.	7158092.cif
265478	2021-05-25	cif/ Adding structures of 7158091, 7158092, 7158093 via cif-deposit CGI script.	7158092.cif