Crystallography Open Database

Information card for entry 1546407

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Structure parameters

Formula	C24 H12 Br4 N2
Calculated formula	C24 H12 Br4 N2
SMILES	Brc1ccc2n(n3c4ccc(Br)cc4c4cc(Br)ccc34)c3c(c2c1)cc(Br)cc3
Title of publication	N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption
Authors of publication	Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan
Journal of publication	Macromolecules
Year of publication	2017
a	10.5047 ± 0.0008 Å
b	14.9725 ± 0.0011 Å
c	27.75 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4364.6 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0309
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546407.cif
198177	2017-06-28	cif/ Adding structures of 1546407 via cif-deposit CGI script.	1546407.cif