Crystallography Open Database

Information card for entry 7247573

Preview

Coordinates	7247573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H81 I N4 O10 Si2
Calculated formula	C76 H81 I N4 O10 Si2
Title of publication	New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations
Authors of publication	Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	24
Pages of publication	10447 - 10457
a	13.3936 ± 0.0003 Å
b	27.474 ± 0.0006 Å
c	9.584 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3526.68 ± 0.13 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
288816 (current)	2024-01-06	cif/ Updating files of 7247573, 7247574 Original log message: Adding full bibliography for 7247573--7247574.cif.	7247573.cif
287101	2023-10-25	cif/ Adding structures of 7247573, 7247574 via cif-deposit CGI script.	7247573.cif