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Information card for entry 1511844
Preview
Coordinates | 1511844.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H30 O8 |
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Calculated formula | C25 H30 O8 |
SMILES | O(c1c(c(O)c(c(O)c1Cc1c(OC)c(c(O)c(c1O)C(=O)C)CC=C(C)C)C(=O)C)C)C |
Title of publication | Antiproliferative and antiplasmodial dimeric phloroglucinols from Mallotus oppositifolius from the Madagascar Dry Forest (1). |
Authors of publication | Harinantenaina, Liva; Bowman, Jessica D.; Brodie, Peggy J.; Slebodnick, Carla; Callmander, Martin W.; Rakotobe, Etienne; Randrianaivo, Richard; Rasamison, Vincent E.; Gorka, Alexander; Roepe, Paul D.; Cassera, Maria B.; Kingston, David G. I. |
Journal of publication | Journal of natural products |
Year of publication | 2013 |
Journal volume | 76 |
Journal issue | 3 |
Pages of publication | 388 - 393 |
a | 12.88614 ± 0.00012 Å |
b | 12.34409 ± 0.00007 Å |
c | 14.84644 ± 0.00013 Å |
α | 90° |
β | 110.476 ± 0.001° |
γ | 90° |
Cell volume | 2212.38 ± 0.03 Å3 |
Cell temperature | 100.05 ± 0.1 K |
Ambient diffraction temperature | 100.05 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0374 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0973 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1511844.html
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Users of the data should acknowledge the original authors of the
structural data.