Information card for entry 1506889

Structure parameters

• Formula: C14 H15 N3
• Calculated formula: C14 H15 N3
• SMILES: N1CC[C@@]2(C[C@@H](N=C12)Cc1ccccc1)C#N.N1CC[C@]2(C[C@H](N=C12)Cc1ccccc1)C#N
• Title of publication: Cyclizations of N-stannylaminyl radicals onto nitriles.
• Authors of publication: Benati, Luisa; Bencivenni, Giorgio; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Scialpi, Rosanna; Spagnolo, Piero; Zanardi, Giuseppe; Rizzoli, Corrado
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 417 - 420
• a: 10.819 ± 0.002 Å
• b: 9.869 ± 0.002 Å
• c: 22.487 ± 0.005 Å
• α: 90 ± 0°
• β: 90 ± 0°
• γ: 90 ± 0°
• Cell volume: 2401 ± 0.8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections: 0.938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No