Crystallography Open Database

Information card for entry 7117855

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Coordinates	7117855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 N4 O7
Calculated formula	C42 H48 N4 O7
Title of publication	Organocatalytic dynamic kinetic resolution of azlactones to construct chiral N-acyl amino acid oxime esters
Authors of publication	Kunru Yu; Xiaohua Liu; Xiaobin Lin; Lili Lin; Xiaoming Feng
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14897
a	9.8877 ± 0.0003 Å
b	21.2513 ± 0.0005 Å
c	11.0106 ± 0.0004 Å
α	90°
β	107.696 ± 0.003°
γ	90°
Cell volume	2204.14 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0794
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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