Information card for entry 2015350

Structure parameters

• Common name: mammeigin
• Chemical name: 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-2H,8H- pyrano[2,3-f]chromen-2-one
• Formula: C25 H24 O5
• Calculated formula: C25 H24 O5
• SMILES: c1(ccccc1)c1cc(=O)oc2c1c(c(c1c2C=CC(C)(C)O1)C(=O)CC(C)C)O
• Title of publication: Mammeigin
• Authors of publication: Doriguetto, Antônio C.; Ellena, Javier; Dos Santos, Marcelo H.; Moreira, Maria E. C.; Nagem, Tanus J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o350 - o352
• a: 16.727 ± 0.001 Å
• b: 14.152 ± 0.001 Å
• c: 8.718 ± 0.001 Å
• α: 90°
• β: 90.79 ± 0.01°
• γ: 90°
• Cell volume: 2063.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes