Information card for entry 7119835

Structure parameters

• Formula: C22 H29 N
• Calculated formula: C22 H29 N
• SMILES: n1(c2ccccc2c2c1c(c(c(c2C)C)CC)CCCC)CC
• Title of publication: PtCl4-catalyzed skeleton rearrangement-cyclization of tertiary indolyl-3-alkynols.
• Authors of publication: Zhou, Jing; Qiu, Youai; Li, Junzhao; Fu, Chunling; Zhang, Xue; Ma, Shengming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 34
• Pages of publication: 4722 - 4725
• a: 8.7284 ± 0.0014 Å
• b: 10.1708 ± 0.0012 Å
• c: 21.323 ± 0.004 Å
• α: 90°
• β: 93.076 ± 0.016°
• γ: 90°
• Cell volume: 1890.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No