Crystallography Open Database

Information card for entry 7126371

Preview

Coordinates	7126371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 B O3
Calculated formula	C26 H35 B O3
Title of publication	Consecutive borylcupration/C-C coupling of γ-alkenyl aldehydes towards diastereoselective 2-(borylmethyl)cycloalkanols.
Authors of publication	Maza, Ricardo J.; Royes, Jordi; Carbó, Jorge J; Fernández, Elena
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	44
Pages of publication	5973 - 5976
a	17.9052 ± 0.0016 Å
b	6.4987 ± 0.0006 Å
c	19.8249 ± 0.0016 Å
α	90°
β	100.138 ± 0.003°
γ	90°
Cell volume	2270.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1886
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252682 (current)	2020-06-05	cif/ Updating files of 7126370, 7126371 Original log message: Adding full bibliography for 7126370--7126371.cif.	7126371.cif
250744	2020-04-14	cif/ Adding structures of 7126370, 7126371 via cif-deposit CGI script.	7126371.cif