Crystallography Open Database

Information card for entry 1571425

Preview

Coordinates	1571425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 B O3 P2
Calculated formula	C22 H27 B O3 P2
SMILES	P(=O)(OC)(OC)[C@H](c1ccccc1)[BH2][P](c1ccccc1)(c1ccccc1)C
Title of publication	Enantioselective copper-catalyzed B-H bond insertion reaction of α-diazo phosphonates to access chiral α-boryl phosphonates.
Authors of publication	Li, Longlong; Yu, Kui; An, Hejun; Cai, Xinping; Song, Qiuling
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	19
Pages of publication	7130 - 7135
a	10.778 ± 0.002 Å
b	9.8031 ± 0.0017 Å
c	11.594 ± 0.003 Å
α	90°
β	117.183 ± 0.007°
γ	90°
Cell volume	1089.7 ± 0.4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292883 (current)	2024-07-05	cif/ Updating files of 1571425 Original log message: Adding full bibliography for 1571425.cif.	1571425.cif
291199	2024-04-16	cif/ Adding structures of 1571425 via cif-deposit CGI script.	1571425.cif