Crystallography Open Database

Information card for entry 1551150

Preview

Coordinates	1551150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H71 F3 N2 O3 S Si5
Calculated formula	C41 H71 F3 N2 O3 S Si5
SMILES	C1(=C[Si](OS(=O)(=O)C(F)(F)F)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)N(C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Authors of publication	Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
Journal of publication	Chemical Science
Year of publication	2019
a	20.6562 ± 0.0005 Å
b	13.3097 ± 0.0003 Å
c	19.844 ± 0.0005 Å
α	90°
β	109.658 ± 0.0009°
γ	90°
Cell volume	5137.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
215508 (current)	2019-05-25	cif/ Adding structures of 1551145, 1551146, 1551147, 1551148, 1551149, 1551150 via cif-deposit CGI script.	1551150.cif