Information card for entry 2230044
Common name |
Fibaruretin B |
Chemical name |
2β,3α-dihydroxy-2,3,7,8α-tetrahydropenianthic acid lactone |
Formula |
C20 H24 O7 |
Calculated formula |
C20 H24 O7 |
SMILES |
O1[C@H]2C[C@@H]3[C@]([C@](O)([C@@H]2O)C1=O)(CC[C@H]1[C@]3(C[C@H](OC1=O)c1ccoc1)C)C |
Title of publication |
Absolute configuration of fibaruretin B |
Authors of publication |
Fun, Hoong-Kun; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Khairuddean, Melati; Chantrapromma, Suchada |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
5 |
Pages of publication |
o1246 - o1247 |
a |
7.0942 ± 0.0002 Å |
b |
11.7149 ± 0.0004 Å |
c |
10.1921 ± 0.0003 Å |
α |
90° |
β |
90.805 ± 0.001° |
γ |
90° |
Cell volume |
846.96 ± 0.05 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 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 |
0.0254 |
Residual factor for significantly intense reflections |
0.0254 |
Weighted residual factors for significantly intense reflections |
0.0656 |
Weighted residual factors for all reflections included in the refinement |
0.0656 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.087 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2230044.html