Crystallography Open Database

Information card for entry 1566806

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Coordinates	1566806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O6
Calculated formula	C19 H19 N O6
Title of publication	Enantioselective Construction of cis-Hydroindole Scaffolds via Asymmetric Inverse-Electron-Demand Diels–Alder Reaction: Application to the Formal Total Synthesis of (+)-Minovincine
Authors of publication	Zhang, Fangqing; Ren, Bing-Tao; Zhou, Yuqiao; Liu, Yangbin; Feng, Xiaoming
Journal of publication	Chemical Science
Year of publication	2022
a	8.7619 ± 0.0001 Å
b	9.0395 ± 0.0001 Å
c	21.2088 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1679.8 ± 0.04 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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