Crystallography Open Database

Information card for entry 2242217

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Structure parameters

Common name	erioflorin
Chemical name	(1a<i>R</i>,3<i>S</i>,4<i>Z</i>,5a<i>R</i>,8a<i>R</i>,9<i>R</i>,10a<i>R</i>)-1a,2,3,5a,7,8,8a,9,10,10a-Decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6]cyclodeca[1,2-<i>b</i>]furan-9-yl methacrylate
Formula	C19 H24 O6
Calculated formula	C19 H24 O6
SMILES	[C@@H]12C[C@@H](/C(=C\[C@@H]3[C@@H]([C@@H](C[C@@]1(C)O2)OC(=O)C(C)=C)C(=C)C(=O)O3)C)O
Title of publication	Crystal structure of erioflorin isolated from <i>Podanthus mitiqui</i> (L.)
Authors of publication	Paz, Cristian; Ortiz, Leandro; Schilde, Uwe
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	3
Pages of publication	334 - 337
a	8.4709 ± 0.0003 Å
b	9.8287 ± 0.0003 Å
c	22.4299 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1867.47 ± 0.1 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199182 (current)	2017-07-25	cif/ hkl/ Adding structures of 2242217 via cif-deposit CGI script.	2242217.cif 2242217.hkl