Information card for entry 1506270

Structure parameters

• Formula: C36 H26
• Calculated formula: C36 H26
• SMILES: C1(=C(Cc2c1cccc2)C1=C(c2c(C1c1ccccc1)cccc2)c1ccccc1)c1ccccc1
• Title of publication: Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.
• Authors of publication: Lu, Jian-Mei; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5317 - 5320
• a: 14.792 ± 0.003 Å
• b: 10.495 ± 0.002 Å
• c: 16.383 ± 0.003 Å
• α: 90°
• β: 95.915 ± 0.005°
• γ: 90°
• Cell volume: 2529.8 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2298
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No