Information card for entry 2208585

Structure parameters

• Common name: Malabaricone-A
• Chemical name: 1-(2,6-dihydroxyphenyl)-9-phenylnonan-1-one
• Formula: C21 H26 O3
• Calculated formula: C21 H26 O3
• SMILES: c1(cccc(c1C(=O)CCCCCCCCc1ccccc1)O)O
• Title of publication: Malabaricone A isolated from a methanol extract of <i>Myristica malabarica</i>
• Authors of publication: Bauri, A. K.; Foro, Sabine; Lindner, Hans J.; Nayak, S. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1338 - o1339
• a: 4.1831 ± 0.0006 Å
• b: 32.562 ± 0.002 Å
• c: 13.627 ± 0.001 Å
• α: 90°
• β: 98.43 ± 0.01°
• γ: 90°
• Cell volume: 1836.1 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes