Information card for entry 7238953

Structure parameters

• Formula: C18 H21 N3
• Calculated formula: C18 H21 N3
• Title of publication: Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features
• Authors of publication: Mahanta, Sanjeev P.; Panda, Pradeepta K.
• Journal of publication: RSC Adv.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 18
• Pages of publication: 6614
• a: 17.324 ± 0.003 Å
• b: 9.7036 ± 0.0013 Å
• c: 18.044 ± 0.003 Å
• α: 90°
• β: 91.045 ± 0.019°
• γ: 90°
• Cell volume: 3032.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.3784
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.771
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No