Information card for entry 2214663

Structure parameters

• Chemical name: 5,11,11-Trimethyl-11<i>H</i>-benzo[<i>a</i>]fluorene
• Formula: C20 H18
• Calculated formula: C20 H18
• SMILES: C1(c2ccccc2c2cc(c3ccccc3c12)C)(C)C
• Title of publication: 5,11,11-Trimethyl-11<i>H</i>-benzo[<i>a</i>]fluorene
• Authors of publication: Li, Shu-Hong; Xu, Cai-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3658 - o3658
• a: 9.5632 ± 0.0019 Å
• b: 9.3715 ± 0.0019 Å
• c: 16.089 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1441.9 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 2
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes