Information card for entry 4024078

Structure parameters

• Formula: C22 H24
• Calculated formula: C22 H24
• SMILES: C1(C(Cc2ccccc12)(C)C)=C1C(Cc2ccccc12)(C)C
• Title of publication: Synthesis, Structural, Spectral, and Photoswitchable Properties of cis- and trans-2,2,2',2'-Tetramethyl-1,1'-indanylindanes
• Authors of publication: Toshiaki Shimasaki; Shin-ichiro Kato; Teruo Shinmyozu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 6251 - 6254
• a: 8.4851 ± 0.0003 Å
• b: 8.6692 ± 0.0005 Å
• c: 11.7774 ± 0.0005 Å
• α: 103.661 ± 0.002°
• β: 98.748 ± 0.002°
• γ: 99.811 ± 0.003°
• Cell volume: 812.61 ± 0.07 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 2.537
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No