Crystallography Open Database

Information card for entry 7152701

Preview

Coordinates	7152701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N2 O4
Calculated formula	C28 H30 N2 O4
Title of publication	Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.
Authors of publication	Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	39
Pages of publication	7863 - 7868
a	11.5793 ± 0.0002 Å
b	9.778 ± 0.0002 Å
c	23.1685 ± 0.0004 Å
α	90°
β	101.922 ± 0.0007°
γ	90°
Cell volume	2566.61 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for all reflections	0.1736
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	0.9698
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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