Crystallography Open Database

Information card for entry 4111526

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Coordinates	4111526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 N2 O3
Calculated formula	C23 H26.726 N2 O3
Title of publication	Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State
Authors of publication	Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	3568 - 3576
a	6.646 ± 0.004 Å
b	15.42 ± 0.008 Å
c	11.019 ± 0.006 Å
α	90°
β	97.734 ± 0.008°
γ	90°
Cell volume	1119 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.066
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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