Information card for entry 2204998
Chemical name |
6,10-bis(acetyloxy)-8-isopropyl-4,4,11a-trimethyl-2-oxo-2,3,4,6,11,11a- hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-9-yl acetate |
Formula |
C26 H32 O8 |
Calculated formula |
C26 H32 O8 |
SMILES |
[C@@H]1(C=C2[C@@](Cc3c1cc(c(c3OC(=O)C)OC(=O)C)C(C)C)(C)OC(=O)CC2(C)C)OC(=O)C |
Title of publication |
Bharangin triacetate |
Authors of publication |
K. Ravikumar; B. Sridhar; M. Marathanda Murthy |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
2 |
Pages of publication |
o380 - o382 |
a |
10.4278 ± 0.0005 Å |
b |
13.3828 ± 0.0006 Å |
c |
18.0857 ± 0.0009 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2523.9 ± 0.2 Å3 |
Cell temperature |
273 ± 2 K |
Ambient diffraction temperature |
273 ± 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 |
0.055 |
Residual factor for significantly intense reflections |
0.0526 |
Weighted residual factors for significantly intense reflections |
0.1271 |
Weighted residual factors for all reflections included in the refinement |
0.1285 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.246 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2204998.html