Information card for entry 7238954

Structure parameters

• Formula: C14 H16 N2 O
• Calculated formula: C14 H16 N2 O
• 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: 15.422 ± 0.0012 Å
• b: 9.7194 ± 0.0006 Å
• c: 17.4527 ± 0.0016 Å
• α: 90°
• β: 110.396 ± 0.01°
• γ: 90°
• Cell volume: 2452 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2132
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No