Crystallography Open Database

Information card for entry 7127490

Preview

Coordinates	7127490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H74 Si6
Calculated formula	C45 H74 Si6
SMILES	[Si]1(=[Si](c2c1cc1cc3ccccc3cc1c2)C(CC(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(CC(C)(C)C)([Si](C)(C)C)[Si](C)(C)C.Cc1ccccc1
Title of publication	Naphtho- and anthra-disilacyclobutadienes.
Authors of publication	Ishida, Shintaro; Sugawara, Shohei; Honda, Shunya; Iwamoto, Takeaki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	95
Pages of publication	15072 - 15075
a	12.95 ± 0.0006 Å
b	13.4087 ± 0.0007 Å
c	14.2041 ± 0.0007 Å
α	92.261 ± 0.001°
β	101.164 ± 0.001°
γ	100.116 ± 0.001°
Cell volume	2375.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
259645 (current)	2020-12-08	cif/ Adding structures of 7127489, 7127490 via cif-deposit CGI script.	7127490.cif