Crystallography Open Database

Information card for entry 7127180

Preview

Coordinates	7127180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 B P
Calculated formula	C17 H24 B P
SMILES	[BH3][P@@](c1ccc(cc1)c1ccccc1)(C)C(C)(C)C
Title of publication	Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.
Authors of publication	Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	79
Pages of publication	11775 - 11778
a	6.6359 ± 0.0009 Å
b	7.5137 ± 0.001 Å
c	34.018 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1696.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0603
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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
260641 (current)	2021-01-07	cif/ Updating files of 7127180, 7127181 Original log message: Adding full bibliography for 7127180--7127181.cif.	7127180.cif
255882	2020-09-04	cif/ Adding structures of 7127180, 7127181 via cif-deposit CGI script.	7127180.cif