Crystallography Open Database: Information card for 1501895

Structure parameters

Formula	C31 H35 Cl O5
Calculated formula	C31 H35 Cl O5
Title of publication	Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones.
Authors of publication	Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	4
Pages of publication	580 - 583
a	14.697 ± 0.0014 Å
b	14.329 ± 0.0013 Å
c	14.303 ± 0.0013 Å
α	90°
β	104.267 ± 0.004°
γ	90°
Cell volume	2919.2 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Hermann-Mauguin symmetry space group	P 1 21/c 1
Hall symmetry space group	-P 2ybc
Residual factor for all reflections	0.0785
Residual factor for observed reflections	0.0554
Weighted residual factors for the observed reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for observed reflections	1.109
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database