Information card for entry 7216973

Structure parameters

• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: C1(=O)c2ccccc2N[C@]1([C@@]1(C(=O)c2ccccc2N1)C)C.C1(=O)c2ccccc2N[C@@]1([C@]1(C(=O)c2ccccc2N1)C)C
• Title of publication: Radical intermediates in the peroxidation of indoles
• Authors of publication: Astolfi, Paola; Greci, Lucedio; Rizzoli, Corrado; Sgarabotto, Paolo; Marrosu, Giancarlo
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1634
• a: 6.155 ± 0.003 Å
• b: 20.219 ± 0.005 Å
• c: 6.556 ± 0.002 Å
• α: 90 ± 0°
• β: 116.08 ± 0.02°
• γ: 90 ± 0°
• Cell volume: 732.8 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.1367
• Weighted residual factors for significantly intense reflections: 0.1183
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 1.54078 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No