Crystallography Open Database

Information card for entry 1520517

1520516 << 1520517 >> 1520518

Preview

Coordinates	1520517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 F O
Calculated formula	C19 H19 F O
SMILES	Fc1ccc(C(=O)[C@H]2CCC(C)(c3c2cccc3)C)cc1
Title of publication	Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.
Authors of publication	Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	12
Pages of publication	3142 - 3145
a	8.4903 ± 0.001 Å
b	9.6656 ± 0.0011 Å
c	18.663 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1531.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
140267 (current)	2015-07-05	cif/ Updating files of 1520513, 1520514, 1520515, 1520516, 1520517 Original log message: Adding full bibliography for 1520513--1520517.cif.	1520517.cif
139109	2015-06-12	cif/ Adding structures of 1520517 via cif-deposit CGI script.	1520517.cif