Crystallography Open Database

Information card for entry 7717506

Preview

Coordinates	7717506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 B F N2 O2
Calculated formula	C12 H8 B F N2 O2
Title of publication	Contribution of radiative rate constants to crystallization-induced emission enhancement in boron-fused azobenzene complexes.
Authors of publication	Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	3
Pages of publication	1079 - 1086
a	6.982 ± 0.004 Å
b	21.445 ± 0.011 Å
c	7.808 ± 0.004 Å
α	90°
β	114.861 ± 0.007°
γ	90°
Cell volume	1060.7 ± 1 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 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	0.0808
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	0.805
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298934 (current)	2025-04-05	cif/ Updating files of 7717506, 7717507, 7717508, 7717509 Original log message: Adding full bibliography for 7717506--7717509.cif.	7717506.cif
295954	2024-11-16	cif/ Adding structures of 7717506, 7717507, 7717508, 7717509 via cif-deposit CGI script.	7717506.cif