Crystallography Open Database

Information card for entry 1568269

Preview

Coordinates	1568269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H92 Cl2 Co N4 O15
Calculated formula	C57 H92 Cl2 Co N4 O15
Title of publication	Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.
Authors of publication	Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	7
Pages of publication	1844 - 1851
a	11.4334 ± 0.0007 Å
b	13.0191 ± 0.0008 Å
c	41.707 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6208.2 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0463
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
281379 (current)	2023-03-04	cif/ Updating files of 1568266, 1568267, 1568268, 1568269 Original log message: Adding full bibliography for 1568266--1568269.cif.	1568269.cif
280312	2023-01-13	cif/ Adding structures of 1568266, 1568267, 1568268, 1568269 via cif-deposit CGI script.	1568269.cif