Crystallography Open Database

Information card for entry 7123570

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Coordinates	7123570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Br N3 O4
Calculated formula	C20 H24 Br N3 O4
Title of publication	Ligand-Controlled Switch in Diastereoselectivities: Catalytic Asymmetric Construction of Spirocyclic Pyrrolidine-azetidine/oxe(thie)tane Derivatives
Authors of publication	Deng, Wei-Ping; Deng, Hua; Jia, Renmeng; Yang, Wu-Lin; Yu, Xingxin
Journal of publication	Chemical Communications
Year of publication	2019
a	10.2024 ± 0.0003 Å
b	31.7463 ± 0.001 Å
c	6.5544 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2122.89 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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