Crystallography Open Database

Information card for entry 1562813

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Coordinates	1562813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 O7
Calculated formula	C31 H40 O7
Title of publication	Iron-Catalyzed Skeletal Conversion of Lathyrane to Premyrsinane Euphorbia Diterpenes and Their Cytotoxic Activities
Authors of publication	Xiao, Yao; Wang, Neng; Wan, Lin-Xi; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng
Journal of publication	Journal of Natural Products
Year of publication	2021
a	10.4771 ± 0.0007 Å
b	9.1278 ± 0.0007 Å
c	15.7435 ± 0.0012 Å
α	90°
β	102.494 ± 0.007°
γ	90°
Cell volume	1469.94 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0869
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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