Crystallography Open Database

Information card for entry 7125507

Preview

Coordinates	7125507.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,1,2,2,9,9,10,10,17,17,18,18,25,25,26,26,27,27, 28,28,35,35,36,36,37,37,38,38,39,39,40,40-dotriacontamethyl- 1,2,9,10,17,18,25,26,27,28,35,36,37,38,39,40-hexadecasila- [28](1,2,4,5)cyclophane
Formula	C56 H104 Si16
Calculated formula	C56 H104 Si16
Title of publication	1,2,9,10,17,18,25,26,27,28,35,36,37,38,39,40-Hexadecasila[28](1,2,4,5)-cyclophane and its open-chain homologs
Authors of publication	Kyushin, Soichiro; Kitahara, Tsukasa; Tanaka, Ryoji; Takeda, Masanori; Matsumoto, Takeshi; Matsumoto, Hideyuki
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	24
Pages of publication	2714
a	10.317 ± 0.002 Å
b	48.495 ± 0.005 Å
c	15.523 ± 0.003 Å
α	90°
β	105.28 ± 0.02°
γ	90°
Cell volume	7492 ± 2 Å³
Cell temperature	93.2 K
Ambient diffraction temperature	93.2 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	0.0773
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	4.538
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288196 (current)	2023-12-08	cif/7/12/55/ Corrected misspelt data names in entry 7125507 using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9829.	7125507.cif
243975	2019-11-28	cif/ Adding structures of 7125507 via cif-deposit CGI script.	7125507.cif