Information card for entry 4021766

Structure parameters

• Common name: NigrolineaxanthoneF
• Formula: C18 H14 O5
• Calculated formula: C18 H14 O5
• SMILES: O1C(C=Cc2c1cc(O)c1C(=O)c3cc(O)ccc3Oc21)(C)C
• Title of publication: Facile Synthesis of 1,3,7-Trihydroxyxanthone and Its Regioselective Coupling Reactions with Prenal: Simple and Efficient Access to Osajaxanthone and Nigrolineaxanthone F
• Authors of publication: Mukulesh Mondal; Vedavati G. Puranik; Narshinha P. Argade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4992 - 4995
• a: 18.5994 ± 0.0009 Å
• b: 10.662 ± 0.0005 Å
• c: 14.7627 ± 0.0007 Å
• α: 90°
• β: 102.537 ± 0.001°
• γ: 90°
• Cell volume: 2857.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No