Crystallography Open Database

Information card for entry 1568164

Preview

Coordinates	1568164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 S2 Si2
Calculated formula	C48 H48 S2 Si2
Title of publication	An unusual autocatalysis with an air-stable Pd complex to promote enantioselective synthesis of Si-stereogenic enynes.
Authors of publication	Ling, Fang-Ying; Ye, Fei; Fang, Xiao-Jun; Zhou, Xiao-Hua; Huang, Wei-Sheng; Xu, Zheng; Xu, Li-Wen
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	5
Pages of publication	1123 - 1131
a	9.1046 ± 0.0007 Å
b	7.8073 ± 0.0006 Å
c	15.404 ± 0.0011 Å
α	90°
β	101.618 ± 0.007°
γ	90°
Cell volume	1072.52 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0483
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281351 (current)	2023-03-04	cif/ Updating files of 1568164 Original log message: Adding full bibliography for 1568164.cif.	1568164.cif
279992	2022-12-22	cif/ Adding structures of 1568164 via cif-deposit CGI script.	1568164.cif