Crystallography Open Database

Information card for entry 1556586

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Structure parameters

Formula	C33 H57 Br Si7
Calculated formula	C33 H57 Br Si7
SMILES	c1ccc2c(c([Si]3=[Si]([Si](C)(C)C)C(CCC3([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c3ccccc3c2Br)c1
Title of publication	Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene
Authors of publication	Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.
Journal of publication	Inorganics
Year of publication	2018
Journal volume	6
Pages of publication	21
a	9.0529 ± 0.0003 Å
b	11.9109 ± 0.0004 Å
c	19.1793 ± 0.0007 Å
α	93.948 ± 0.001°
β	90.181 ± 0.001°
γ	109.133 ± 0.001°
Cell volume	1948.47 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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 all reflections	0.0306
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556586.cif
245206	2019-12-16	cif/ Adding structures of 1556586 via cif-deposit CGI script.	1556586.cif