Information card for entry 2217573

Structure parameters

• Chemical name: 5-(1<i>H</i>-Inden-2-yl)-1,3-benzodioxole
• Formula: C16 H12 O2
• Calculated formula: C16 H12 O2
• SMILES: O1COc2c1ccc(c2)C1=Cc2c(C1)cccc2
• Title of publication: 5-(1<i>H</i>-Inden-2-yl)-1,3-benzodioxole
• Authors of publication: Rui-Xue Deng; Wei-Yi Zhou; Xiao-Juan Deng; Liang-Dong Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o492 - o492
• a: 22.277 ± 0.01 Å
• b: 6.892 ± 0.003 Å
• c: 7.58 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1163.8 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes