Crystallography Open Database

Information card for entry 7120987

7120986 << 7120987 >> 7120988

Preview

Coordinates	7120987.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,5-bis(tert-butyldimethylsilyl)hexaisobutylbicyclo[3.3.3]pentasiloxane
Formula	C36 H84 O8 Si7
Calculated formula	C36 H84 O8 Si7
SMILES	C(C(C)C)[Si]1(O[Si]2(O[Si](CC(C)C)(CC(C)C)O[Si](O1)(O[Si](O2)(CC(C)C)CC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC(C)C
Title of publication	Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes
Authors of publication	Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki
Journal of publication	Chemical Communications
Year of publication	2018
a	18.4236 ± 0.0004 Å
b	13.5947 ± 0.0003 Å
c	21.1068 ± 0.0005 Å
α	90°
β	104.245 ± 0.001°
γ	90°
Cell volume	5123.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0591
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
204201 (current)	2017-12-13	cif/ Adding structures of 7120986, 7120987, 7120988, 7120989 via cif-deposit CGI script.	7120987.cif