Crystallography Open Database

Information card for entry 4038617

Preview

Coordinates	4038617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 O6
Calculated formula	C24 H36 O6
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	12.769 ± 0.0015 Å
b	5.7458 ± 0.0007 Å
c	31.33 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2298.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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