Crystallography Open Database

Information card for entry 4103868

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Coordinates	4103868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H53 Cl5 O16
Calculated formula	C44 H48 O16
Title of publication	Explorations into Neolignan Biosynthesis: Concise Total Syntheses of Helicterin B, Helisorin, and Helisterculin A from a Common Intermediate
Authors of publication	Scott A. Snyder; Ferenc Kontes
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	1745 - 1752
a	30.622 ± 0.004 Å
b	12.7487 ± 0.0017 Å
c	26.301 ± 0.004 Å
α	90°
β	102.477 ± 0.002°
γ	90°
Cell volume	10025 ± 2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1428
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1694
Weighted residual factors for all reflections included in the refinement	0.1922
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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