Crystallography Open Database

Information card for entry 4103871

Preview

Coordinates	4103871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H58 Cl4 O17
Calculated formula	C48 H56 Cl4 O17
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	12.2083 ± 0.0008 Å
b	14.8043 ± 0.001 Å
c	14.8729 ± 0.001 Å
α	86.302 ± 0.001°
β	69.538 ± 0.001°
γ	89.653 ± 0.001°
Cell volume	2512.8 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1339
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.21
Weighted residual factors for all reflections included in the refinement	0.2483
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4103871.html