Crystallography Open Database

Information card for entry 4034054

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Coordinates	4034054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O4 S
Calculated formula	C24 H27 N O4 S
Title of publication	Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene.
Authors of publication	Hu, Zhouli; Zhu, Ying; Fu, Zhenqian; Huang, Wei
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	16
Pages of publication	10328 - 10337
a	12.2321 ± 0.0015 Å
b	7.4711 ± 0.0009 Å
c	13.3738 ± 0.0016 Å
α	90°
β	110.067 ± 0.003°
γ	90°
Cell volume	1148 ± 0.2 Å³
Cell temperature	300 K
Ambient diffraction temperature	300.66 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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