Crystallography Open Database

Information card for entry 7714631

Preview

Coordinates	7714631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H74 B6 Cl8 N2 O
Calculated formula	C96 H74 B6 Cl8 N2 O
Title of publication	Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.
Authors of publication	Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1004 - 1013
a	14.931 ± 0.007 Å
b	49.55 ± 0.03 Å
c	11.093 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	8207 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289536 (current)	2024-02-04	cif/ Updating files of 7714624, 7714625, 7714626, 7714627, 7714628, 7714629, 7714630, 7714631 Original log message: Adding full bibliography for 7714624--7714631.cif.	7714631.cif
288107	2023-12-07	cif/ Adding structures of 7714624, 7714625, 7714626, 7714627, 7714628, 7714629, 7714630, 7714631 via cif-deposit CGI script.	7714631.cif