Crystallography Open Database

Information card for entry 7156967

Preview

Coordinates	7156967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 O3
Calculated formula	C15 H26 O3
Title of publication	A biomimetic approach towards phorone sesterterpenoids.
Authors of publication	Shirley, Harry J.; Bray, Christopher D.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	29
Pages of publication	6985 - 6988
a	12.6454 ± 0.0009 Å
b	6.3501 ± 0.0004 Å
c	18.3909 ± 0.0013 Å
α	90°
β	106.614 ± 0.003°
γ	90°
Cell volume	1415.13 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225024 (current)	2019-11-08	cif/ Updating files of 7156966, 7156967 Original log message: Adding full bibliography for 7156966--7156967.cif.	7156967.cif
216950	2019-07-11	cif/ Adding structures of 7156966, 7156967 via cif-deposit CGI script.	7156967.cif