Crystallography Open Database

Information card for entry 7232307

Preview

Coordinates	7232307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 F3 N O3
Calculated formula	C18 H12 F3 N O3
Title of publication	Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones
Authors of publication	Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing
Journal of publication	Green Chemistry
Year of publication	2019
Journal volume	21
Journal issue	5
Pages of publication	991
a	6.7109 ± 0.0007 Å
b	9.819 ± 0.0013 Å
c	12.7318 ± 0.0014 Å
α	75.919 ± 0.008°
β	82.43 ± 0.009°
γ	80.639 ± 0.009°
Cell volume	799.18 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.2018
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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