Crystallography Open Database

Information card for entry 1574284

Preview

Coordinates	1574284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H106 F12 N6 Ni O15 S4
Calculated formula	C72 H106 F12 N6 Ni O15 S4
Title of publication	Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes
Authors of publication	Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	19
Pages of publication	8454 - 8459
a	14.5272 ± 0.0005 Å
b	18.2708 ± 0.0006 Å
c	16.2 ± 0.0005 Å
α	90°
β	111.107 ± 0.001°
γ	90°
Cell volume	4011.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1686
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300594 (current)	2025-07-06	cif/ Updating files of 1574283, 1574284 Original log message: Adding full bibliography for 1574283--1574284.cif.	1574284.cif
298675	2025-04-02	cif/ Adding structures of 1574283, 1574284 via cif-deposit CGI script.	1574284.cif