Crystallography Open Database

Information card for entry 1568267

Preview

Coordinates	1568267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 F O3
Calculated formula	C26 H23 F O3
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	8.7024 ± 0.0003 Å
b	13.0704 ± 0.0005 Å
c	18.7294 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2130.35 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0281
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1568267.cif
280312	2023-01-13	cif/ Adding structures of 1568266, 1568267, 1568268, 1568269 via cif-deposit CGI script.	1568267.cif