Crystallography Open Database

Information card for entry 1572082

1572081 << 1572082 >> 1572083

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Coordinates	1572082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 O6 S
Calculated formula	C38 H36 O6 S
Title of publication	Stereoselective benzylic C(sp<sup>3</sup>)-H alkenylation enabled by metallaphotoredox catalysis.
Authors of publication	Li, Yantao; Bai, Haonan; Gao, Qi; Liu, Kai; Han, Jie; Li, Weipeng; Zhu, Chengjian; Xie, Jin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	31
Pages of publication	12511 - 12516
a	6.187 ± 0.0017 Å
b	8.034 ± 0.002 Å
c	65.131 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	3237.4 ± 1.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0736
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
294485 (current)	2024-09-06	cif/ Updating files of 1572082 Original log message: Adding full bibliography for 1572082.cif.	1572082.cif
293304	2024-07-09	cif/ Adding structures of 1572082 via cif-deposit CGI script.	1572082.cif