Information card for entry 2200824

Structure parameters

• Formula: C18 H16
• Calculated formula: C18 H16
• SMILES: C1CC(c2ccccc12)C1=Cc2ccccc2C1
• Title of publication: 2-(2',3'-Dihydro-1'<i>H</i>-inden1'-yl)-1<i>H</i>-indene
• Authors of publication: Jovanovic, Jovan; Schürmann, Markus; Preut, Hans; Spiteller, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o33 - o34
• a: 20.2837 ± 0.0008 Å
• b: 42.098 ± 0.002 Å
• c: 6.1644 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5263.8 ± 0.4 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 2
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes