Crystallography Open Database

Information card for entry 7234000

Preview

Coordinates	7234000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 B N2 O2
Calculated formula	C31 H31 B N2 O2
SMILES	[B]1([O]=C(c2ccc(N(C)C)cc2)C=C(O1)c1ccc(N(C)C)cc1)(c1ccccc1)c1ccccc1
Title of publication	Red emissive diarylboron diketonate crystals: aggregation-induced color change and amplified spontaneous emission
Authors of publication	Lu Wang; Zhenyu Zhang; Xiao Cheng; Kaiqi Ye; Feng Li; Yue Wang; Hongyu Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	499 - 505
a	10.62 ± 0.002 Å
b	10.757 ± 0.002 Å
c	18.073 ± 0.004 Å
α	79.44 ± 0.03°
β	88.37 ± 0.03°
γ	76.63 ± 0.03°
Cell volume	1974.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1697
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1642
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
218583 (current)	2019-09-20	cif/ Adding structures of 7234000 via cif-deposit CGI script.	7234000.cif