Crystallography Open Database

Information card for entry 1543939

Preview

Coordinates	1543939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 F O2
Calculated formula	C23 H29 F O2
SMILES	FC(=C(\Oc1ccc(OCc2ccccc2)cc1)C(C)(C)C)\C(C)(C)C
Title of publication	Sterically Controlled Cu-Catalyzed or Transition-Metal-Free Cross-Coupling of gem-Difluoroalkenes with Tertiary, Secondary, and Primary Alkyl Grignard Reagents.
Authors of publication	Dai, Wenpeng; Shi, Hongyan; Zhao, Xianghu; Cao, Song
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	17
Pages of publication	4284 - 4287
a	6.027 ± 0.003 Å
b	8.625 ± 0.005 Å
c	20.271 ± 0.012 Å
α	80.818 ± 0.012°
β	84.718 ± 0.013°
γ	80.883 ± 0.013°
Cell volume	1024.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2227
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
187981 (current)	2016-11-06	cif/ Updating files of 1543939 Original log message: Adding full bibliography for 1543939.cif.	1543939.cif
185902	2016-08-20	cif/ Adding structures of 1543939 via cif-deposit CGI script.	1543939.cif