Crystallography Open Database

Information card for entry 7703223

Preview

Coordinates	7703223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H22 B10 O
Calculated formula	C12 H22 B10 O
Title of publication	Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.
Authors of publication	Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1380 - 1383
a	6.7025 ± 0.0007 Å
b	9.3292 ± 0.001 Å
c	13.3822 ± 0.0014 Å
α	90°
β	92.85 ± 0.002°
γ	90°
Cell volume	835.74 ± 0.15 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
248937 (current)	2020-03-05	cif/ Updating files of 7703222, 7703223, 7703224, 7703225, 7703226 Original log message: Adding full bibliography for 7703222--7703226.cif.	7703223.cif
246528	2020-01-04	cif/ Adding structures of 7703222, 7703223, 7703224, 7703225, 7703226 via cif-deposit CGI script.	7703223.cif