Crystallography Open Database

Information card for entry 1569018

Preview

Coordinates	1569018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H55 N3 O2
Calculated formula	C42 H55 N3 O2
SMILES	O(C(=O)Nc1ccc(cc1)/C(=C/c1cnccc1)C#N)[C@@H]1CC[C@@]2(C(=CC[C@H]3[C@H]2CC[C@@]2([C@@H]3CC[C@H]2[C@H](CCCC(C)C)C)C)C1)C
Title of publication	Solvent-resolved self-assemblies of cholesteryl-cyanostilbene conjugates with photo- and thermo-responsiveness.
Authors of publication	Zhang, Shuqing; Hao, Aiyou; Xing, Pengyao
Journal of publication	Nanoscale
Year of publication	2023
Journal volume	15
Journal issue	21
Pages of publication	9567 - 9576
a	16.0358 ± 0.0004 Å
b	6.2586 ± 0.0002 Å
c	36.1603 ± 0.0012 Å
α	90°
β	92.17 ± 0.002°
γ	90°
Cell volume	3626.51 ± 0.19 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1603
Residual factor for significantly intense reflections	0.1032
Weighted residual factors for significantly intense reflections	0.2496
Weighted residual factors for all reflections included in the refinement	0.3157
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
299904 (current)	2025-06-02	cif/1: Fixing Z values and formulae	1569018.cif
284288	2023-06-05	cif/ Updating files of 1569018 Original log message: Adding full bibliography for 1569018.cif.	1569018.cif
282969	2023-05-04	cif/ Adding structures of 1569018 via cif-deposit CGI script.	1569018.cif