Crystallography Open Database

Information card for entry 2011626

2011625 << 2011626 >> 2011627

Preview

Coordinates	2011626.cif
Original IUCr paper	HTML

Structure parameters

Common name	eudesmane sesquiterpenoid
Chemical name	3β-angloyloxy-4αacetoxy-5αH-furanoeudesmane
Formula	C22 H30 O5
Calculated formula	C22 H30 O5
SMILES	o1c2c(C[C@H]3[C@](OC(=O)C)([C@@H](OC(=O)C(=C/C)\C)CC[C@@]3(C2)C)C)c(c1)C
Title of publication	Furanoeudesmane-B, a new eudesmane sesquiterpenoid from <i>Myoporum bontioides</i>
Authors of publication	Wang, Qiguang; Ma, Chunling; Zhai, Jianjun
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	12
Pages of publication	e569 - e569
a	8.854 ± 0.001 Å
b	12.122 ± 0.001 Å
c	17.708 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1900.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.056
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections	1.421
Goodness-of-fit parameter for all reflections included in the refinement	1.421
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.