Crystallography Open Database

Information card for entry 1520513

1520512 << 1520513 >> 1520514

Preview

Coordinates	1520513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24
Calculated formula	C24 H24
SMILES	CC1(c2ccc(c3ccc(c4ccccc4)cc3)cc2CCC1)C
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	7.4014 ± 0.0009 Å
b	30.606 ± 0.004 Å
c	7.739 ± 0.001 Å
α	90°
β	100.806 ± 0.003°
γ	90°
Cell volume	1722 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	1520513.cif
139105	2015-06-12	cif/ Adding structures of 1520513 via cif-deposit CGI script.	1520513.cif