Crystallography Open Database

Information card for entry 7241186

Preview

Coordinates	7241186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 N4 O10 P
Calculated formula	C20 H33 N4 O10 P
SMILES	P(=O)(OCCCOc1ccc(/N=N/c2ccc(N(=O)=O)cc2)cc1)(OCC[N+](C)(C)C)[O-].O.O.O
Title of publication	Self-assembly of photoresponsive azo-containing phospholipids with a polar group as the tail
Authors of publication	Ma, Su; Kurihara, Seiji; Tomimori, Yasuhiro; Kim, Sunnam; Kwon, Eunsang; Muramatsu, Atsushi; Kanie, Kiyoshi
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	54
Pages of publication	32984 - 32991
a	8.3108 ± 0.0003 Å
b	11.6756 ± 0.0003 Å
c	25.7039 ± 0.0008 Å
α	81.273 ± 0.006°
β	88.301 ± 0.006°
γ	83.153 ± 0.006°
Cell volume	2447.51 ± 0.14 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1871
Residual factor for significantly intense reflections	0.106
Weighted residual factors for significantly intense reflections	0.2386
Weighted residual factors for all reflections included in the refinement	0.2852
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258129 (current)	2020-10-06	cif/ Updating files of 7241186 Original log message: Adding full bibliography for 7241186.cif.	7241186.cif
255917	2020-09-05	cif/ Adding structures of 7241186 via cif-deposit CGI script.	7241186.cif