Information card for entry 2011420

Structure parameters

• Common name: 2-[1-(1-naphthyl)ethyl]benzoic acid
• Formula: C19 H16 O2
• Calculated formula: C19 H16 O2
• Title of publication: Hydrogen bonding and C—H···O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid 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: 1222 - 1224
• a: 16.8468 ± 0.0003 Å
• b: 37.3753 ± 0.0007 Å
• c: 13.8418 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8715.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes