Information card for entry 4026855

Structure parameters

• Formula: C16 H16 O
• Calculated formula: C16 H16 O
• Title of publication: Deoxygenation of Hydroquinones as a General Route to Norbornane-Fused Aromatic Systems: An Entry into Substituted and Functionalized Dimethano- and Methanoanthracenes
• Authors of publication: Prasad Ganji; Hasim Ibrahim
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 511 - 518
• a: 5.7182 ± 0.0005 Å
• b: 5.9604 ± 0.0006 Å
• c: 8.6336 ± 0.0007 Å
• α: 96.773 ± 0.007°
• β: 92.481 ± 0.007°
• γ: 99.717 ± 0.008°
• Cell volume: 287.41 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No