Crystallography Open Database

Information card for entry 7233550

Preview

Coordinates	7233550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H48 N6
Calculated formula	C52 H48 N6
SMILES	c12c(c(c3c(c1c1ccc(cc1)C)c1c(ccc(c1)C=C(C#N)C#N)n3CCCCCC)c1ccc(cc1)C)c1c(ccc(c1)C=C(C#N)C#N)n2CCCCCC
Title of publication	Synthesis of two novel indolo[3,2-b]carbazole derivatives with aggregation-enhanced emission property
Authors of publication	Wen-bin Jia; Hao-wei Wang; Long-mei Yang; Hong-bo Lu; Lin Kong; Yu-peng Tian; Xu-tang Tao; Jia-xiang Yang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2012
Journal volume	1
Pages of publication	7092 - 7101
a	9.2346 ± 0.0014 Å
b	10.1144 ± 0.0015 Å
c	24.687 ± 0.004 Å
α	79.828 ± 0.002°
β	89.103 ± 0.002°
γ	72.21 ± 0.002°
Cell volume	2159.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
297561 (current)	2025-02-01	cif/7 Fixing Z values and formulae	7233550.cif
217829	2019-08-29	cif/ Adding structures of 7233550 via cif-deposit CGI script.	7233550.cif