Information card for entry 2240605

Structure parameters

• Chemical name: 3-(4-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-1-one
• Formula: C20 H16 O3
• Calculated formula: C20 H16 O3
• SMILES: c1cccc2c1c1c(cc2)OC(CC1=O)c1ccc(cc1)OC
• Title of publication: Crystal structure of 3-(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-naphtho[2,1-<i>b</i>]pyran-1-one
• Authors of publication: Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o332
• a: 7.3612 ± 0.0003 Å
• b: 17.854 ± 0.0009 Å
• c: 11.9465 ± 0.0006 Å
• α: 90°
• β: 105.697 ± 0.002°
• γ: 90°
• Cell volume: 1511.54 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes