Information card for entry 7108073

Structure parameters

• Formula: C23 H19 N
• Calculated formula: C23 H19 N
• SMILES: n12c3ccccc3c(c1CCC2c1ccccc1)c1ccccc1
• Title of publication: Thermally induced [3+2] cyclization of aniline-tethered alkylidenecyclopropanes: a facile synthetic protocol of pyrrolo[1,2-a]indoles
• Authors of publication: Kai Chen; Zhen Zhang; Yin Wei; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7696
• a: 9.8435 ± 0.001 Å
• b: 9.9731 ± 0.001 Å
• c: 10.8542 ± 0.0011 Å
• α: 97.636 ± 0.002°
• β: 116.238 ± 0.002°
• γ: 111.32 ± 0.002°
• Cell volume: 833.58 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No