Crystallography Open Database

Information card for entry 1562179

Preview

Coordinates	1562179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H43 F48 O8
Calculated formula	C78 H43 F48 O8
Title of publication	Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.
Authors of publication	Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	21
Pages of publication	7575 - 7582
a	10.533 ± 0.0001 Å
b	32.5011 ± 0.0002 Å
c	12.4209 ± 0.0001 Å
α	90°
β	111.317 ± 0.001°
γ	90°
Cell volume	3961.18 ± 0.06 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100.01 ± 0.11 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268624 (current)	2021-09-06	cif/ Updating files of 1562171, 1562172, 1562173, 1562174, 1562175, 1562176, 1562177, 1562178, 1562179, 1562180 Original log message: Adding full bibliography for 1562171--1562180.cif.	1562179.cif
264602	2021-04-28	cif/ Adding structures of 1562171, 1562172, 1562173, 1562174, 1562175, 1562176, 1562177, 1562178, 1562179, 1562180 via cif-deposit CGI script.	1562179.cif