Information card for entry 2240467

Structure parameters

• Chemical name: 1-Methoxypyrene
• Formula: C17 H12 O
• Calculated formula: C17 H12 O
• Title of publication: Crystal structure of 1-methoxypyrene
• Authors of publication: Morales-Espinoza, Eric G.; Rivera, Ernesto; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o210 - o211
• a: 16.4163 ± 0.0015 Å
• b: 15.8838 ± 0.0015 Å
• c: 13.5669 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3537.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes