Crystallography Open Database

Information card for entry 7234240

Preview

Coordinates	7234240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Br Cl N4 O4
Calculated formula	C27 H20 Br Cl N4 O4
SMILES	Brc1ccc(cc1)C[n+]1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	Photo-facilitated aggregation and correlated color temperature adjustment of single component organic solid state white-light emitting materials
Authors of publication	Cheng Chen; Xu-Hui Jin; Xue-Jun Zhou; Li-Xuan Cai; Ya-Jun Zhang; Jie Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	4563 - 4569
a	9.583 ± 0.002 Å
b	9.614 ± 0.002 Å
c	26.703 ± 0.006 Å
α	90°
β	100.57 ± 0.007°
γ	90°
Cell volume	2418.4 ± 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	0.046
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	0.895
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
218929 (current)	2019-09-30	cif/ Adding structures of 7234238, 7234239, 7234240, 7234241 via cif-deposit CGI script.	7234240.cif