Crystallography Open Database

Information card for entry 4071371

Preview

Coordinates	4071371.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound9
Formula	C80 H136 O2 Si14
Calculated formula	C80 H136 O2 Si14
SMILES	C12c3c(OC4C=1C=C[C@H](C=4)[Si@@H](C1=C4C=C[C@@H]([Si@@H]2c2c(cc(cc2C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C=C4Oc2ccccc12)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)cccc3.C12c3c(OC4C=1C=C[C@@H](C=4)[Si@H](C1=C4C=C[C@H]([Si@H]2c2c(cc(cc2C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C=C4Oc2ccccc12)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)cccc3
Title of publication	Synthesis of a 1-Hydrosilene Stable in Solution and Its Unique Properties#
Authors of publication	Ozaki, Shuhei; Sasamori, Takahiro; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	10
Pages of publication	2163
a	21.0678 ± 0.0013 Å
b	9.8086 ± 0.0013 Å
c	23.437 ± 0.003 Å
α	90°
β	107.596 ± 0.003°
γ	90°
Cell volume	4616.6 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1654
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178602 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13.	4071371.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071371.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071371.cif
43172	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071371 via cif-deposit CGI script.	4071371.cif