Crystallography Open Database

Information card for entry 7156535

Preview

Coordinates	7156535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N O2
Calculated formula	C16 H23 N O2
Title of publication	A rapid construction of the ABC tricyclic skeleton of malabanone A.
Authors of publication	Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	44
Pages of publication	8491 - 8494
a	7.3868 ± 0.0004 Å
b	17.0662 ± 0.0009 Å
c	23.1039 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2912.6 ± 0.3 Å³
Cell temperature	253 ± 8 K
Ambient diffraction temperature	253 ± 8 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	0.1129
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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