Crystallography Open Database

Information card for entry 7057720

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Coordinates	7057720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 N2 O8
Calculated formula	C44 H50 N2 O8
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	11.854 ± 0.0013 Å
b	22.738 ± 0.002 Å
c	14.816 ± 0.0018 Å
α	90°
β	100.02 ± 0.003°
γ	90°
Cell volume	3932.5 ± 0.7 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0583
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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