Information card for entry 2236993

Structure parameters

• Common name: 9-(4-Methoxyphenyl)anthracene
• Chemical name: 9-(4-Methoxyphenyl)anthracene
• Formula: C21 H16 O
• Calculated formula: C21 H16 O
• SMILES: O(c1ccc(c2c3c(cc4c2cccc4)cccc3)cc1)C
• Title of publication: 9-(4-Methoxyphenyl)anthracene
• Authors of publication: Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3410
• a: 13.5539 ± 0.0005 Å
• b: 15.0626 ± 0.0005 Å
• c: 7.613 ± 0.0002 Å
• α: 90°
• β: 99.219 ± 0.002°
• γ: 90°
• Cell volume: 1534.17 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes