Crystallography Open Database

Information card for entry 1577356

Preview

Coordinates	1577356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 Br N O
Calculated formula	C33 H24 Br N O
Title of publication	Switching between photochromism and photoluminescence in Schiff base derivatives by molecular design of end groups.
Authors of publication	Zhang, Qilong; Zhou, Xu; Shan, Xiaofeng; He, Fa; Bao, Yuwei; Xu, Hong; Zhu, Chun; Zhu, Bixue
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	18
Pages of publication	9193 - 9203
a	9.341 ± 0.004 Å
b	12.006 ± 0.004 Å
c	12.375 ± 0.005 Å
α	100.008 ± 0.009°
β	109.515 ± 0.01°
γ	91.124 ± 0.011°
Cell volume	1283.7 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.2307
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.1817
Weighted residual factors for all reflections included in the refinement	0.2333
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
306202 (current)	2026-06-04	cif/ Adding structures of 1577354, 1577355, 1577356, 1577357, 1577358, 1577359, 1577360, 1577361 via cif-deposit CGI script.	1577356.cif