Information card for entry 7151723

Structure parameters

• Formula: C18 H14 O
• Calculated formula: C18 H14 O
• SMILES: Cc1cc2Cc3ccc4ccccc4c3Oc2cc1
• Title of publication: Lewis acid-catalysed one pot synthesis of substituted xanthenes.
• Authors of publication: Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1744 - 1748
• a: 4.7615 ± 0.0005 Å
• b: 11.9406 ± 0.0012 Å
• c: 21.373 ± 0.002 Å
• α: 90°
• β: 93.296 ± 0.002°
• γ: 90°
• Cell volume: 1213.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0566
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No