Crystallography Open Database

Information card for entry 4104751

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Coordinates	4104751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 O3
Calculated formula	C20.56 H25.32 O4.12
Title of publication	Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof
Authors of publication	K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10587 - 10597
a	11.7346 ± 0.0007 Å
b	9.0075 ± 0.0004 Å
c	11.8751 ± 0.0008 Å
α	90°
β	108.844 ± 0.003°
γ	90°
Cell volume	1187.91 ± 0.12 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	6.121
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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