Crystallography Open Database

Information card for entry 7133349

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Coordinates	7133349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 B Br N2 O4
Calculated formula	C17 H22 B Br N2 O4
Title of publication	Synthesis of chiral boranes <i>via</i> asymmetric insertion of carbenes into B-H bonds catalyzed by the rhodium(I) diene complex.
Authors of publication	Ankudinov, Nikita M.; Komarova, Alina A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Danshina, Anastasia A.; Perekalin, Dmitry S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	65
Pages of publication	8601 - 8604
a	8.2775 ± 0.0003 Å
b	8.4391 ± 0.0004 Å
c	27.6673 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1932.69 ± 0.15 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.2029
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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

Version history

Revision	Date	Message	Files
294451 (current)	2024-09-06	cif/ Updating files of 7133349 Original log message: Adding full bibliography for 7133349.cif.	7133349.cif
293415	2024-07-16	cif/ Adding structures of 7133349 via cif-deposit CGI script.	7133349.cif