Crystallography Open Database

Information card for entry 1559267

Preview

Coordinates	1559267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 O10
Calculated formula	C30 H46 O10
Title of publication	Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.
Authors of publication	Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	10
Pages of publication	3069 - 3079
a	9.6322 ± 0.0003 Å
b	10.6501 ± 0.0004 Å
c	14.5182 ± 0.001 Å
α	90°
β	100.881 ± 0.007°
γ	90°
Cell volume	1462.56 ± 0.13 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.151
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.1969
Weighted residual factors for all reflections included in the refinement	0.2646
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258715 (current)	2020-11-04	cif/ Updating files of 1559261, 1559262, 1559263, 1559264, 1559265, 1559266, 1559267 Original log message: Adding full bibliography for 1559261--1559267.cif.	1559267.cif
257184	2020-10-06	cif/ Adding structures of 1559267 via cif-deposit CGI script.	1559267.cif