Information card for entry 4032436

Structure parameters

• Formula: C25 H22
• Calculated formula: C25 H22
• SMILES: c12c(cc(cc2)C)C2=C(c3c(C2(C1)C)cccc3)c1cc(ccc1)C
• Title of publication: A Domino Palladium-Catalyzed Cyclization: One-pot Synthesis of 4b-Alkyl-10-phenyl-4b,5-dihydroindeno[2,1-a]indenes via Carbopalladation Followed by C-H Activation.
• Authors of publication: Ramesh, Karu; Satyanarayana, Gedu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 8.4038 ± 0.0005 Å
• b: 9.7159 ± 0.0006 Å
• c: 22.1773 ± 0.0015 Å
• α: 90°
• β: 90.719 ± 0.006°
• γ: 90°
• Cell volume: 1810.6 ± 0.2 ų
• Cell temperature: 323 K
• Ambient diffraction temperature: 323 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: 0.0879
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No