Crystallography Open Database

Information card for entry 4121934

4121933 << 4121934 >> 4121935

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Coordinates	4121934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H60 O6
Calculated formula	C42 H60 O6
Title of publication	Total synthesis of taiwaniadducts B, C, and d.
Authors of publication	Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	23
Pages of publication	8185 - 8188
a	9.7753 ± 0.0011 Å
b	12.6238 ± 0.0015 Å
c	30.737 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3793 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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