Information card for entry 1506776

Structure parameters

• Formula: C27 H20 O6
• Calculated formula: C27 H20 O6
• SMILES: O=C1C2=C(C(=O)c3c1cccc3)c1c(c(O)c3ccccc3c1OC2C=C(C)C)C(=O)OC
• Title of publication: Pericyclic reactions of prenylated naphthoquinones: biomimetic syntheses of mollugin and microphyllaquinone.
• Authors of publication: Lumb, Jean-Philip; Trauner, Dirk
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 5865 - 5868
• a: 15.45 ± 0.004 Å
• b: 9.102 ± 0.002 Å
• c: 15.6427 ± 0.0004 Å
• α: 90°
• β: 109.702 ± 0.004°
• γ: 90°
• Cell volume: 2071 ± 0.7 ų
• Cell temperature: 113.2 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: 0.209
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 2.331
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No