Crystallography Open Database

Information card for entry 1568716

Preview

Coordinates	1568716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 P2 Si
Calculated formula	C40 H34 P2 Si
SMILES	P(c1c2[Si]3(CCc2ccc1)CCc1cccc(P(c2ccccc2)c2ccccc2)c31)(c1ccccc1)c1ccccc1
Title of publication	Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.
Authors of publication	Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	17
Pages of publication	4641 - 4646
a	11.6462 ± 0.0005 Å
b	8.726 ± 0.0004 Å
c	16.7421 ± 0.0008 Å
α	90°
β	108.62 ± 0.002°
γ	90°
Cell volume	1612.35 ± 0.13 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0355
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284209 (current)	2023-06-05	cif/ Updating files of 1568716, 1568717 Original log message: Adding full bibliography for 1568716--1568717.cif.	1568716.cif
282091	2023-03-29	cif/ Adding structures of 1568716, 1568717 via cif-deposit CGI script.	1568716.cif