Crystallography Open Database

Information card for entry 4070785

Preview

Coordinates	4070785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H52 O Si4
Calculated formula	C26 H52 O Si4
SMILES	[Si@]1([Si](C)(C)C)(O[Si](C)(C)C)C(=C[C@@]1([Si](C)(C)C)C12CC3CC(CC(C3)C1)C2)C(C)(C)C.[Si@@]1([Si](C)(C)C)(O[Si](C)(C)C)C(=C[C@]1([Si](C)(C)C)C12CC3CC(CC(C3)C1)C2)C(C)(C)C
Title of publication	Silicon−Carbon Unsaturated Compounds. 74. Thermal Behavior of 1-Silacyclobut-3-enes Generated from the Reaction of Acylpolysilanes withtert-Butylacetylene
Authors of publication	Naka, Akinobu; Motoike, Shingo; Senba, Norihito; Ohshita, Joji; Kunai, Atsutaka; Yoshizawa, Kazunari; Ishikawa, Mitsuo
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	12
Pages of publication	2750
a	10.0468 ± 0.0005 Å
b	10.3024 ± 0.0004 Å
c	17.0558 ± 0.0005 Å
α	104.11 ± 0.001°
β	94.399 ± 0.002°
γ	115.674 ± 0.0008°
Cell volume	1509.15 ± 0.11 Å³
Cell temperature	296.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.774
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070785.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070785.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070785.cif
42700	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070785 via cif-deposit CGI script.	4070785.cif