Crystallography Open Database

Information card for entry 7156857

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Coordinates	7156857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 B Cl3 N
Calculated formula	C31 H27 B Cl3 N
Title of publication	Planarized B,N-phenylated dibenzoazaborine with a carbazole substructure: electronic impact of the structural constraint.
Authors of publication	Ando, Mikinori; Sakai, Mika; Ando, Naoki; Hirai, Masato; Yamaguchi, Shigehiro
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	22
Pages of publication	5500 - 5504
a	26.0787 ± 0.0016 Å
b	18.5482 ± 0.0005 Å
c	11.033 ± 0.0005 Å
α	90°
β	103.001 ± 0.006°
γ	90°
Cell volume	5200 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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