Crystallography Open Database

Information card for entry 4107445

Preview

Coordinates	4107445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 N O7
Calculated formula	C28 H31 N O7
SMILES	c1(ccc(cc1)OC)CN(C)[C@@H]([C@@H](c1ccc(c(c1)OC(=O)C)OCc1ccccc1)O)C(=O)OC
Title of publication	Evolution of the Total Syntheses of Ustiloxin Natural Products and Their Analogues
Authors of publication	Pixu Li; Cory D. Evans; Yongzhong Wu; Bin Cao; Ernest Hamel; Madeleine M. Joullié
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2351 - 2364
a	12.1576 ± 0.0014 Å
b	8.1424 ± 0.0008 Å
c	13.3921 ± 0.0015 Å
α	90°
β	107.226 ± 0.001°
γ	90°
Cell volume	1266.2 ± 0.2 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0744
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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