Information card for entry 1511845

Structure parameters

• Formula: C21 H24 O8
• Calculated formula: C21 H24 O8
• SMILES: Oc1c(Cc2c(O)c(c(O)c(c2OC)C)C(=O)C)c(OC)c(c(O)c1C(=O)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: 9.4459 ± 0.001 Å
• b: 12.5596 ± 0.0009 Å
• c: 16.2541 ± 0.0013 Å
• α: 90°
• β: 104.867 ± 0.01°
• γ: 90°
• Cell volume: 1863.8 ± 0.3 ų
• Cell temperature: 100.5 K
• Ambient diffraction temperature: 100.5 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: 0.0803
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No