Information card for entry 1506888

Structure parameters

• Formula: C15 H17 N3
• Calculated formula: C15 H17 N3
• SMILES: N1CCC[C@@]2(C[C@@H](N=C12)Cc1ccccc1)C#N.N1CCC[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: 7.504 ± 0.002 Å
• b: 15.354 ± 0.004 Å
• c: 11.812 ± 0.004 Å
• α: 90 ± 0°
• β: 105.48 ± 0.03°
• γ: 90 ± 0°
• Cell volume: 1311.6 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• 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: 0.071
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No