Crystallography Open Database

Information card for entry 7130062

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Coordinates	7130062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N O4
Calculated formula	C18 H23 N O4
Title of publication	A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine
Authors of publication	Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.
Journal of publication	Chemical Communications
Year of publication	2022
a	9.0338 ± 0.0004 Å
b	12.58 ± 0.0006 Å
c	13.9834 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1589.15 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0642
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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