Information card for entry 7117055

Structure parameters

• Chemical name: (E)-5-(2,2-Dimethylpropylidene)-10,11-dihydro-3-methyl-5H-dibenzo[a,d]cycloheptene
• Formula: C21 H24
• Calculated formula: C21 H24
• SMILES: c1c2/C(=C/C(C)(C)C)c3ccccc3CCc2ccc1C
• Title of publication: Construction of dibenzo-fused seven- to nine-membered carbocycles via Bronsted acid-promoted intramolecular Friedel-Crafts-type alkenylation
• Authors of publication: Takashi Otani; Kanako Ueki; Kinryo Cho; Kan Kanai; Kotaro Tateno; Takao Saito
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7895
• a: 5.881 ± 0.005 Å
• b: 16.344 ± 0.013 Å
• c: 17.969 ± 0.014 Å
• α: 90°
• β: 95.555 ± 0.01°
• γ: 90°
• Cell volume: 1719 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No