Crystallography Open Database

Information card for entry 7127151

Preview

Coordinates	7127151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 B O4
Calculated formula	C24 H29 B O4
SMILES	O=C(OCC)[C@@]1(c2ccccc2)C[C@@]1(c1ccccc1)B1OC(C)(C)C(O1)(C)C
Title of publication	Rhodium-catalysed diastereo- and enantio-selective cyclopropanation of α-boryl styrenes.
Authors of publication	Sun, Xiao; Gu, Peiming; Qin, Jiao; Su, Yan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	82
Pages of publication	12379 - 12382
a	6.48035 ± 0.00014 Å
b	17.3087 ± 0.0003 Å
c	19.7454 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2214.77 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0367
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
260719 (current)	2021-01-07	cif/ Updating files of 7127151 Original log message: Adding full bibliography for 7127151.cif.	7127151.cif
255786	2020-09-02	cif/ Adding structures of 7127151 via cif-deposit CGI script.	7127151.cif