Information card for entry 4112304

Structure parameters

• Formula: C18 H10 O
• Calculated formula: C18 H10 O
• SMILES: c12c3c4c5Oc1cccc2ccc3ccc4ccc5
• Title of publication: Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure
• Authors of publication: Patrick M. Donovan; Lawrence T. Scott
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3108 - 3112
• a: 16.087 ± 0.002 Å
• b: 4.6626 ± 0.0007 Å
• c: 15.988 ± 0.002 Å
• α: 90°
• β: 108.26 ± 0.003°
• γ: 90°
• Cell volume: 1138.8 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No