Information card for entry 4120495

Structure parameters

• Chemical name: 2,7-diphenyl-3,6-dihydropyrrolo[3,2-e]indole
• Formula: C22 H16 N2
• Calculated formula: C22 H16 N2
• SMILES: c1ccccc1c1cc2c(ccc3c2cc(c2ccccc2)[nH]3)[nH]1
• Title of publication: Correction to palladium-catalyzed aerobic oxidative cyclization of N-aryl imines: indole synthesis from anilines and ketones.
• Authors of publication: Wei, Ye; Deb, Indubhusan; Yoshikai, Naohiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 7
• Pages of publication: 2928
• a: 6.125 ± 0.002 Å
• b: 7.74 ± 0.003 Å
• c: 32.799 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1554.9 ± 0.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No