Crystallography Open Database

Information card for entry 1519755

1519754 << 1519755 >> 1519756

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Coordinates	1519755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 O4
Calculated formula	C15 H16 O4
SMILES	o1c(cc(c1C)C(=O)OCC)c1ccc(OC)cc1
Title of publication	Copper-Catalyzed Coupling Cyclization of gem-Difluoroalkenes with Activated Methylene Carbonyl Compounds: Facile Domino Access to Polysubstituted Furans.
Authors of publication	Zhang, Xuxue; Dai, Wenpeng; Wu, Wei; Cao, Song
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	11
Pages of publication	2708 - 2711
a	7.4665 ± 0.0008 Å
b	21.583 ± 0.002 Å
c	8.4033 ± 0.0009 Å
α	90°
β	107.586 ± 0.002°
γ	90°
Cell volume	1290.9 ± 0.2 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	3
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	0.0567
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
141407 (current)	2015-07-09	cif/ Updating files of 1519755 Original log message: Adding full bibliography for 1519755.cif.	1519755.cif
136999	2015-05-20	cif/ Adding structures of 1519755 via cif-deposit CGI script.	1519755.cif