Crystallography Open Database: Information card for 1502105

Structure parameters

Formula	C17 H18 N2 O5
Calculated formula	C17 H18 N2 O5
Title of publication	Intramolecular hydride addition to pyridinium salts: new routes to enantiopure dihydropyridones.
Authors of publication	Donohoe, Timothy J.; Connolly, Matthew J.; Rathi, Akshat H.; Walton, Lesley
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2074 - 2077
a	35.653 ± 0.0008 Å
b	6.9183 ± 0.0002 Å
c	14.1033 ± 0.0004 Å
α	90°
β	112.256 ± 0.0012°
γ	90°
Cell volume	3219.52 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Hermann-Mauguin symmetry space group	C 1 2/c 1
Hall symmetry space group	-C 2yc
Residual factor for all reflections	0.0568
Residual factor for observed reflections	0.0406
Weighted residual factors for all reflections	0.0969
Weighted residual factors for the observed reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for observed reflections	0.9509
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database