Crystallography Open Database

Information card for entry 7156535

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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

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156535.cif
230606	2019-11-17	cif/ Updating files of 7156534, 7156535, 7156536 Original log message: Adding full bibliography for 7156534--7156536.cif.	7156535.cif
211656	2018-10-26	cif/ Adding structures of 7156535 via cif-deposit CGI script.	7156535.cif