Information card for entry 2011391

Structure parameters

• Common name: 4-(hydroxymethyl)phenanthrene
• Chemical name: 4-phenanthrenemethanol
• Formula: C15 H12 O
• Calculated formula: C15 H12 O
• SMILES: OCc1cccc2ccc3ccccc3c12
• Title of publication: Hydrogen bonding and C—H···O interactions in 4-phenanthrenemethanol at 150K
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1287 - 1288
• a: 22.5868 ± 0.0004 Å
• b: 22.5868 ± 0.0004 Å
• c: 8.302 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4235.38 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No