Information card for entry 7117054

Structure parameters

• Chemical name: (Z)-12-(2,2-Dimethylpropylidene)-2-methyl-5,6,7,12-tetrahydro-dibenzo[a,d]cyclooctene
• Formula: C22 H26
• Calculated formula: C22 H26
• SMILES: c1c2/C(=C\C(C)(C)C)c3c(cccc3)CCCc2ccc1C
• 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: 12.4844 ± 0.0007 Å
• b: 8.092 ± 0.0005 Å
• c: 17.7356 ± 0.0011 Å
• α: 90°
• β: 92.499 ± 0.001°
• γ: 90°
• Cell volume: 1790.01 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No