Crystallography Open Database

Information card for entry 7062907

Preview

Coordinates	7062907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H21 B Br F2 N3 O
Calculated formula	C30 H21 B Br F2 N3 O
Title of publication	A difluoroboron compound with latent fingerprint detection and inkless writing based on aggregation-induced emission enhancement and mechanofluorochromic behavior
Authors of publication	Yang, Shufang; Tian, Jiazhuang; Zhang, Bangcui; Yang, Yanhua; Li, Xiangguang; Gao, Shulin; Shao, Lin; Li, Fumin
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	3
Pages of publication	1264 - 1271
a	8.2149 ± 0.0004 Å
b	33.6377 ± 0.0013 Å
c	9.9837 ± 0.0004 Å
α	90°
β	90.872 ± 0.003°
γ	90°
Cell volume	2758.5 ± 0.2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1822
Weighted residual factors for all reflections included in the refinement	0.2004
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289602 (current)	2024-02-04	cif/ Updating files of 7062907 Original log message: Adding full bibliography for 7062907.cif.	7062907.cif
288205	2023-12-09	cif/ Adding structures of 7062907 via cif-deposit CGI script.	7062907.cif