Crystallography Open Database

Information card for entry 7234148

Preview

Coordinates	7234148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H58 B F2 N5
Calculated formula	C58 H58 B F2 N5
SMILES	[B]1(F)(F)[n]2c(ccc3c2ccc(c3)n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)N=c2ccc3cc(ccc3n12)n1c2ccc(cc2c2cc(ccc12)C(C)(C)C)C(C)(C)C
Title of publication	Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors
Authors of publication	Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	3774 - 3782
a	22.4457 ± 0.0017 Å
b	11.3035 ± 0.0007 Å
c	20.0181 ± 0.0014 Å
α	90°
β	92.623 ± 0.005°
γ	90°
Cell volume	5073.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1661
Residual factor for significantly intense reflections	0.1316
Weighted residual factors for significantly intense reflections	0.2674
Weighted residual factors for all reflections included in the refinement	0.28
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218832 (current)	2019-09-25	cif/ Adding structures of 7234146, 7234147, 7234148 via cif-deposit CGI script.	7234148.cif