Crystallography Open Database

Information card for entry 7158216

Preview

Coordinates	7158216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 O2
Calculated formula	C15 H26 O2
SMILES	O1[C@@]([C@@H]2CC[C@@H](C=C(C2)C)C)(COC1(C)C)C
Title of publication	Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.
Authors of publication	Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	32
Pages of publication	7081 - 7084
a	6.2068 ± 0.0002 Å
b	9.6747 ± 0.0003 Å
c	23.6894 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1422.52 ± 0.07 Å³
Cell temperature	160 K
Ambient diffraction temperature	160 K
Number of distinct elements	3
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	0.0331
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268924 (current)	2021-09-06	cif/ Updating files of 7158216, 7158217 Original log message: Adding full bibliography for 7158216--7158217.cif.	7158216.cif
267971	2021-08-06	cif/ Adding structures of 7158216, 7158217 via cif-deposit CGI script.	7158216.cif