Crystallography Open Database

Information card for entry 7159589

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Coordinates	7159589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N2 O2
Calculated formula	C12 H18 N2 O2
Title of publication	Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.
Authors of publication	Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	43
Pages of publication	8695 - 8701
a	6.0452 ± 0.0003 Å
b	10.044 ± 0.0005 Å
c	9.6566 ± 0.0004 Å
α	90°
β	90.901 ± 0.002°
γ	90°
Cell volume	586.26 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.0386
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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