Crystallography Open Database

Information card for entry 7063015

Preview

Coordinates	7063015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H57 N O2
Calculated formula	C36 H57 N O2
SMILES	O(c1ccc(/N=C/c2cc(c(OCCCCCCCCCCC)cc2)C)cc1)CCCCCCCCCCC
Title of publication	Photoinduced solid-to-liquid transition of an N-benzylideneaniline derivative towards smart glass
Authors of publication	Hu, Jing; Yu, Haifeng
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	11
Pages of publication	4690 - 4698
a	5.2253 ± 0.0002 Å
b	9.716 ± 0.0003 Å
c	33.2617 ± 0.001 Å
α	88.759 ± 0.002°
β	87.229 ± 0.002°
γ	77.614 ± 0.003°
Cell volume	1647.32 ± 0.1 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 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	0.0692
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291027 (current)	2024-04-05	cif/ Updating files of 7063015 Original log message: Adding full bibliography for 7063015.cif.	7063015.cif
289840	2024-02-16	cif/ Adding structures of 7063015 via cif-deposit CGI script.	7063015.cif