Crystallography Open Database: Information card for 1502111

Structure parameters

Formula	C15 H26 O2
Calculated formula	C15 H26 O2
Title of publication	Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.
Authors of publication	Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2090 - 2093
a	12.146 ± 0.0016 Å
b	12.8011 ± 0.0015 Å
c	18.387 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2858.9 ± 0.7 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	3
Hermann-Mauguin symmetry space group	P 21 21 21
Hall symmetry space group	P 2ac 2ab
Residual factor for all reflections	0.0433
Residual factor for observed reflections	0.03
Weighted residual factors for the observed reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for observed reflections	0.851
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database