Crystallography Open Database

Information card for entry 7129596

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Coordinates	7129596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H53 B
Calculated formula	C42 H53 B
Title of publication	Kinetic stabilization allows structural analysis of a benzoborirene
Authors of publication	Sindlinger, Marvin; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.
Journal of publication	Chemical Communications
Year of publication	2022
a	16.61817 ± 0.00014 Å
b	25.11861 ± 0.00017 Å
c	8.47933 ± 0.00006 Å
α	90°
β	90°
γ	90°
Cell volume	3539.49 ± 0.05 Å³
Cell temperature	99.99 ± 0.11 K
Ambient diffraction temperature	99.99 ± 0.11 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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