Crystallography Open Database

Information card for entry 7159026

Preview

Coordinates	7159026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 B F N O3
Calculated formula	C23 H29 B F N O3
Title of publication	Enantio- and diastereoselective boron conjugate addition to α-alkyl α,β-unsaturated esters.
Authors of publication	Li, Meng; Peng, Guang-Rui; Yang, Xuan; Ma, Zhen-Ning; Xie, Jian-Bo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	21
Journal issue	1
Pages of publication	53 - 58
a	10.0208 ± 0.0005 Å
b	9.4096 ± 0.0005 Å
c	12.163 ± 0.0007 Å
α	90°
β	93.034 ± 0.002°
γ	90°
Cell volume	1145.26 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281549 (current)	2023-03-04	cif/ Updating files of 7159026 Original log message: Adding full bibliography for 7159026.cif.	7159026.cif
279718	2022-12-06	cif/ Adding structures of 7159026 via cif-deposit CGI script.	7159026.cif