Crystallography Open Database

Information card for entry 7057721

Preview

Coordinates	7057721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H44 N2 O11
Calculated formula	C37 H44 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	7.0677 ± 0.0017 Å
b	38.091 ± 0.008 Å
c	12.609 ± 0.003 Å
α	90°
β	95.486 ± 0.005°
γ	90°
Cell volume	3379 ± 1.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1372
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	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7057721.html