Crystallography Open Database

Information card for entry 7230586

Preview

Coordinates	7230586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38 B Br N2 S
Calculated formula	C41 H38 B Br N2 S
Title of publication	Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism
Authors of publication	Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	23
Pages of publication	3162
a	9.6323 ± 0.0007 Å
b	13.5037 ± 0.0011 Å
c	52.648 ± 0.004 Å
α	90°
β	93.701 ± 0.002°
γ	90°
Cell volume	6833.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1186
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
229106 (current)	2019-11-17	cif/ Updating files of 7230584, 7230585, 7230586 Original log message: Adding full bibliography for 7230584--7230586.cif.	7230586.cif
207699	2018-05-09	cif/ Adding structures of 7230584, 7230585, 7230586 via cif-deposit CGI script.	7230586.cif