Crystallography Open Database

Information card for entry 7057722

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Coordinates	7057722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H42 N2 O11
Calculated formula	C37 H42 N2 O11
Title of publication	Hetero-intermolecular [2+2] photocycloaddition of 1,4-dihydropyridines: a combined experimental and DFT study
Authors of publication	Fan, Qiangwen; Tan, Hongbo; Li, Peng; Yan, Hong
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	20
Pages of publication	16795
a	10.9132 ± 0.0013 Å
b	16.828 ± 0.002 Å
c	21.963 ± 0.003 Å
α	88.088 ± 0.009°
β	75.632 ± 0.007°
γ	76.611 ± 0.007°
Cell volume	3799.8 ± 0.8 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1166
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.1892
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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