Crystallography Open Database

Information card for entry 1507471

Preview

Coordinates	1507471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 F N O2 S Si
Calculated formula	C20 H32 F N O2 S Si
SMILES	S(=O)(=O)(NCC(=C=CF)[Si](C(C)C)(C(C)C)C(C)C)c1ccc(cc1)C
Title of publication	Functionalization of Monofluoroallene and the Synthesis of Aryl-Substituted Conjugated Fluorodienes
Authors of publication	Lan, Yunfeng; Hammond, Gerald B.
Journal of publication	Organic Letters
Year of publication	2002
Journal volume	4
Journal issue	14
Pages of publication	2437
a	8.43 ± 0.0001 Å
b	28.3483 ± 0.0004 Å
c	10.035 ± 0.0002 Å
α	90°
β	101.904 ± 0.0009°
γ	90°
Cell volume	2346.56 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507471.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507471.cif
53992	2012-04-20	cif/ Adding structures of 1507471 via cif-deposit CGI script.	1507471.cif