Crystallography Open Database

Information card for entry 4120091

4120090 << 4120091 >> 4120092

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Structure parameters

Formula	C36 H36 Si
Calculated formula	C36 H36 Si
Title of publication	Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes
Authors of publication	Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10353 - 10361
a	12.4831 ± 0.0004 Å
b	16.0535 ± 0.0006 Å
c	14.5104 ± 0.0005 Å
α	90°
β	96.848 ± 0.002°
γ	90°
Cell volume	2887.1 ± 0.17 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1765
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4120091.cif
178977	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/00.	4120091.cif
105642	2014-03-12	cif/ Adding structures of 4120091 via cif-deposit CGI script.	4120091.cif