Crystallography Open Database

Information card for entry 2237461

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Structure parameters

Chemical name	<i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene
Formula	C28 H52 Si8
Calculated formula	C28 H52 Si8
SMILES	c12c3[Si](C)(C)[Si](c3c(cc2)[Si](C)(C)[Si](c2c3c(c(cc2)[Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]3(C)C)(C)C)(C)C
Title of publication	<i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene
Authors of publication	Toma, Yuki; Otsuka, Kyohei; Kyushin, Soichiro
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	3
Pages of publication	o341
a	7.9801 ± 0.0008 Å
b	18.9087 ± 0.0014 Å
c	12.6222 ± 0.001 Å
α	90°
β	104.279 ± 0.0009°
γ	90°
Cell volume	1845.8 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0293
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2237461.cif 2237461.hkl
181296	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/74.	2237461.cif 2237461.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2237461.cif 2237461.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2237461.cif 2237461.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2237461.cif 2237461.hkl
78742	2013-04-02	cif/ Adding structures of 2237461 via cif-deposit CGI script.	2237461.cif