Information card for entry 1508357

Structure parameters

• Formula: C23 H17 N
• Calculated formula: C23 H17 N
• SMILES: [nH]1c2c(c(cc3c2c(ccc3)C)c2ccccc2)c2c1cccc2
• Title of publication: Palladium-Catalyzed Cascade Process Consisting of Isocyanide Insertion and Benzylic C(sp(3))-H Activation: Concise Synthesis of Indole Derivatives.
• Authors of publication: Nanjo, Takeshi; Tsukano, Chihiro; Takemoto, Yoshiji
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 4270 - 4273
• a: 10.069 ± 0.002 Å
• b: 12.069 ± 0.003 Å
• c: 14.804 ± 0.004 Å
• α: 88.984 ± 0.006°
• β: 89.148 ± 0.006°
• γ: 65.025 ± 0.006°
• Cell volume: 1630.5 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 2.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No