Crystallography Open Database

Information card for entry 1503990

Preview

Coordinates	1503990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N O5
Calculated formula	C20 H23 N O5
SMILES	C1(=O)[C@]2([C@@H](CCCC2)C(=O)O)C=C2N1CCc1c2cc(OC)c(OC)c1
Title of publication	One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.
Authors of publication	Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	17
Pages of publication	3802 - 3805
a	7.4009 ± 0.0004 Å
b	9.1172 ± 0.0004 Å
c	26.7217 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1803.06 ± 0.15 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0784
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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