Crystallography Open Database

Information card for entry 4030763

Preview

Coordinates	4030763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H13 Cl F12 O2 Si
Calculated formula	C26 H12 F12 O2 Si
SMILES	[Si]12(OC(c3c1c1ccccc1cc3)(C(F)(F)F)C(F)(F)F)OC(c1c2c2ccccc2cc1)(C(F)(F)F)C(F)(F)F
Title of publication	Versatile Access to Martin's Spirosilanes and Their Hypervalent Derivatives.
Authors of publication	Lenormand, Hugo; Corcé, Vincent; Sorin, Geoffroy; Chhun, Christine; Chamoreau, Lise-Marie; Krim, Lahouari; Zins, Emilie-Laure; Goddard, Jean-Philippe; Fensterbank, Louis
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	6
Pages of publication	3280 - 3288
a	18.6833 ± 0.0009 Å
b	10.3132 ± 0.0005 Å
c	27.1247 ± 0.0014 Å
α	90°
β	94.236 ± 0.003°
γ	90°
Cell volume	5212.2 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0448
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1041
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4030763.cif
134828	2015-04-04	cif/ Updating files of 4030763, 4030764, 4030765, 4030766 Original log message: Adding full bibliography for 4030763--4030766.cif.	4030763.cif
133048	2015-03-05	cif/ Adding structures of 4030763, 4030764, 4030765, 4030766 via cif-deposit CGI script.	4030763.cif