Information card for entry 7238950

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: 12.9488 ± 0.0007 Å
• b: 14.6721 ± 0.0012 Å
• c: 25.565 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4857 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2501
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No