Information card for entry 2211978

Structure parameters

• Common name: 5-methoxyindanone
• Chemical name: 5-Methoxyindan-1-one
• Formula: C10 H10 O2
• Calculated formula: C10 H10 O2
• SMILES: COc1ccc2c(c1)CCC2=O
• Title of publication: 5-Methoxyindan-1-one
• Authors of publication: Obaid-ur-Rahman Abid; Ghulam Qadeer; Nasim Hasan Rama; Wai-Yeung Wong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o165 - o166
• a: 7.4114 ± 0.0007 Å
• b: 10.6122 ± 0.001 Å
• c: 10.9137 ± 0.001 Å
• α: 90°
• β: 103.692 ± 0.002°
• γ: 90°
• Cell volume: 833.98 ± 0.14 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: 0.044
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes