Information card for entry 1511964

Structure parameters

• Formula: C21 H20 O7
• Calculated formula: C21 H20 O7
• SMILES: C1(c2c(cccc2C(=O)c2c(cc(cc2O1)C)O)OC/C=C(C(=O)O)\C)OC
• Title of publication: Benzophenones from an Endophytic Fungus, Graphiopsis chlorocephala, from Paeonia lactiflora Cultivated in the Presence of an NAD(+)-Dependent HDAC Inhibitor.
• Authors of publication: Asai, Teigo; Otsuki, Sae; Sakurai, Hiroaki; Yamashita, Kouwa; Ozeki, Tomoji; Oshima, Yoshiteru
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 2058 - 2061
• a: 9.075 ± 0.001 Å
• b: 9.818 ± 0.001 Å
• c: 11.417 ± 0.001 Å
• α: 76.443 ± 0.001°
• β: 79.217 ± 0.001°
• γ: 69.002 ± 0.002°
• Cell volume: 917.25 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1935
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.689 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No