Crystallography Open Database

Information card for entry 1571886

Preview

Coordinates	1571886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Br O
Calculated formula	C15 H15 Br O
Title of publication	Catalytic asymmetric intramolecular propargylation of cyclopropanols to access the cuparane core.
Authors of publication	Zhao, Yankun; Yan, Hongya; Zhang, Yulian; Zhou, Tao; Tian, Mengxing; Zhang, Chongzhou; Yuan, Shan; Qiu, Hanyue; He, Ling; Zhang, Min
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	28
Pages of publication	10963 - 10968
a	9.0877 ± 0.0006 Å
b	10.7172 ± 0.0012 Å
c	14.3707 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1399.6 ± 0.2 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	0.1258
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
293752 (current)	2024-08-05	cif/ Updating files of 1571886, 1571887, 1571888, 1571889 Original log message: Adding full bibliography for 1571886--1571889.cif.	1571886.cif
292399	2024-06-15	cif/ Adding structures of 1571886, 1571887, 1571888, 1571889 via cif-deposit CGI script.	1571886.cif