Crystallography Open Database

Information card for entry 7115952

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Coordinates	7115952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Br2 N2 O14
Calculated formula	C54 H52 Br2 N2 O14
Title of publication	An organocatalytic domino Michael-alkylation reaction: highly enantioselective construction of spiro-cyclopentanoneoxindoles and tetronic acid scaffolds
Authors of publication	Jing Zhou; Qi-Lin Wang; Lin Peng; Fang Tian; Xiao-Ying Xu; Li-Xin Wang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	14601
a	12.0921 ± 0.0005 Å
b	12.0539 ± 0.0005 Å
c	18.6826 ± 0.0008 Å
α	90°
β	100.115 ± 0.004°
γ	90°
Cell volume	2680.8 ± 0.2 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 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	0.1458
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1806
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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