Crystallography Open Database

Information card for entry 7159458

Preview

Coordinates	7159458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 B F2 N3
Calculated formula	C24 H26 B F2 N3
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	17.7244 ± 0.0008 Å
b	10.0495 ± 0.0003 Å
c	12.6371 ± 0.0005 Å
α	90°
β	110.399 ± 0.005°
γ	90°
Cell volume	2109.78 ± 0.16 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	0.0699
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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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