Crystallography Open Database

Information card for entry 7107223

Preview

Coordinates	7107223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N2 O4
Calculated formula	C20 H14 N2 O4
SMILES	O=C1OC(COC(=O)c2c(nccc2)c2ncccc12)c1ccccc1
Title of publication	Facile and highly atom-economic method to build biaryl-containing medium-ring lactones
Authors of publication	Dongdong Wu; Lei Wang; Kai Xu; Jia Song; Hong-Kun Fun; JianHua Xu; Yan Zhang
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	1168
a	8.6883 ± 0.0004 Å
b	17.1238 ± 0.0007 Å
c	11.0471 ± 0.0004 Å
α	90°
β	95.946 ± 0.001°
γ	90°
Cell volume	1634.71 ± 0.12 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
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	0.0823
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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