Crystallography Open Database

Information card for entry 1571244

Preview

Coordinates	1571244.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine
Formula	C26 H18 Br N
Calculated formula	C26 H18 Br N
SMILES	Brc1c2c(c(N(c3ccccc3)c3ccccc3)c3c1cccc3)cccc2
Title of publication	10-Bromo-N,N-diphenylanthracen-9-amine
Authors of publication	Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	3
Pages of publication	x240207
a	8.489 ± 0.0012 Å
b	16.4 ± 0.002 Å
c	27.936 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3889.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1571244.cif
290479	2024-03-13	cif/ Adding structures of 1571244 via cif-deposit CGI script.	1571244.cif