Information card for entry 7134918

Structure parameters

• Formula: C36 H30 N2
• Calculated formula: C36 H30 N2
• Title of publication: Iridium catalyzed intramolecular cyclization of allyl alcohol-indole hybrids: rapid access to photoluminescent 5<i>H</i>-benzo[<i>b</i>]carbazoles.
• Authors of publication: Jaiswal, Gaurav; Pan, Subhas Chandra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 77
• Pages of publication: 15011 - 15014
• a: 5.3157 ± 0.0007 Å
• b: 34.868 ± 0.005 Å
• c: 16.652 ± 0.002 Å
• α: 90°
• β: 94.617 ± 0.003°
• γ: 90°
• Cell volume: 3076.4 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No