Information card for entry 1517562

Structure parameters

• Formula: C29 H28
• Calculated formula: C29 H28
• SMILES: c1(cc(c(c(c1)Cc1ccccc1)CC)CC)c1ccc(cc1)c1ccccc1
• Title of publication: Hydroalumination-Triggered Cyclization of Silylated 1,3-Dien-5-ynes to Polysubstituted Benzenes.
• Authors of publication: Kinoshita, Hidenori; Tohjima, Takayuki; Miura, Katsukiyo
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4762 - 4765
• a: 10.298 ± 0.0016 Å
• b: 19.691 ± 0.003 Å
• c: 22.267 ± 0.004 Å
• α: 73.896 ± 0.002°
• β: 78.353 ± 0.002°
• γ: 87.604 ± 0.002°
• Cell volume: 4248.3 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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 all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No