Crystallography Open Database

Information card for entry 4125534

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Structure parameters

Common name	decasilaisotwistane
Chemical name	permethyltricyclo[4.3.1.0^3,7^]decasilane
Formula	C16 H48 Si10
Calculated formula	C16 H48 Si10
SMILES	[Si]1([Si]([Si]2([Si@@]3([Si]([Si]([Si@]2([Si]([Si]1([Si]3(C)C)C)(C)C)C)(C)C)(C)C)C)C)(C)C)(C)C
Title of publication	Decasilahexahydrotriquinacene and Decasilaisotwistane: σ Conjugation on a Bowl Surface.
Authors of publication	Tsurusaki, Akihiro; Koyama, Yu; Kyushin, Soichiro
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	16.929 ± 0.003 Å
b	11.5469 ± 0.0015 Å
c	33.309 ± 0.005 Å
α	90°
β	95.231 ± 0.004°
γ	90°
Cell volume	6484 ± 1.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4125534.cif
192588	2017-03-01	cif/ Adding structures of 4125534 via cif-deposit CGI script.	4125534.cif