Crystallography Open Database

Information card for entry 1571396

Preview

Coordinates	1571396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H92 O Si
Calculated formula	C56 H92 O Si
Title of publication	Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups
Authors of publication	Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa
Journal of publication	International Journal of Molecular Sciences
Year of publication	2024
Journal volume	25
Journal issue	7
Pages of publication	3761
a	12.9236 ± 0.0003 Å
b	18.9633 ± 0.0004 Å
c	20.6577 ± 0.0005 Å
α	90°
β	102.518 ± 0.002°
γ	90°
Cell volume	4942.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0657
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
291087 (current)	2024-04-05	cif/ Adding structures of 1571396 via cif-deposit CGI script.	1571396.cif