Crystallography Open Database

Information card for entry 4038620

Preview

Coordinates	4038620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 O4
Calculated formula	C15 H26 O4
Title of publication	Regio- and Stereoselective Addition of HO/OOH to Allylic Alcohols
Authors of publication	Wang, Xiao-Tao; Han, Wei-Bo; Chen, Hui-Jun; Zha, Qinghong; Wu, Yikang
Journal of publication	The Journal of Organic Chemistry
Year of publication	2020
a	6.7174 ± 0.0004 Å
b	7.3675 ± 0.0005 Å
c	14.6311 ± 0.0008 Å
α	90°
β	95.693 ± 0.002°
γ	90°
Cell volume	720.53 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038620.html