Information card for entry 4027625

Structure parameters

• Formula: C24 H15 I N2 O2
• Calculated formula: C24 H15 I N2 O2
• SMILES: IC1=Cc2n(c3c(c2C21c1ccccc1c1ccccc21)cc(N(=O)=O)cc3)C
• Title of publication: 3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts
• Authors of publication: Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9510 - 9520
• a: 8.7794 ± 0.0003 Å
• b: 14.9065 ± 0.0006 Å
• c: 16.4959 ± 0.0007 Å
• α: 75.161 ± 0.003°
• β: 75.409 ± 0.003°
• γ: 88.174 ± 0.003°
• Cell volume: 2018.29 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No