Crystallography Open Database

Information card for entry 7159455

Preview

Coordinates	7159455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 B F2 N2
Calculated formula	C29 H29 B F2 N2
Title of publication	A series of boron difluoride complexes of azinylcarbazoles: synthesis and structure-property relationships.
Authors of publication	Yamamoto, Koji; Matsui, Shun; Kato, Shin-Ichiro; Nakamura, Yosuke
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	26
Pages of publication	5398 - 5405
a	20.9381 ± 0.0005 Å
b	9.9194 ± 0.0003 Å
c	11.6477 ± 0.0003 Å
α	90°
β	100.414 ± 0.002°
γ	90°
Cell volume	2379.3 ± 0.11 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 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	0.0501
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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