Information card for entry 1553292

Structure parameters

• Formula: C24 H28 O7
• Calculated formula: C24 H28 O7
• SMILES: c1(c(c2c(c(c1)OC)c1c(cc2)O[C@@]2([C@@H]3[C@H]1O[C@H]([C@@H]([C@@H]3CC2)C)OCC)C)O)C(=O)O
• Title of publication: Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei.
• Authors of publication: Abdissa, Negera; Pan, Fangfang; Gruhonjic, Amra; Gräfenstein, Jürgen; Fitzpatrick, Paul A.; Landberg, Göran; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 2181 - 2187
• a: 5.20049 ± 0.00004 Å
• b: 18.36541 ± 0.0001 Å
• c: 22.63281 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2161.64 ± 0.02 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0387
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No