Information card for entry 7235443

Structure parameters

• Formula: C26 H25 N O5
• Calculated formula: C26 H25 N O5
• Title of publication: Reaction of N-propargylic β-enaminones with acetylene dicarboxylates: catalyst-free synthesis of 3-azabicyclo[4.1.0]hepta-2,4-dienes
• Authors of publication: Goutham, Kommuru; Nagaraju, Vemu; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 40
• Pages of publication: 21054
• a: 16.104 ± 0.006 Å
• b: 6.924 ± 0.003 Å
• c: 22.877 ± 0.007 Å
• α: 90°
• β: 117.522 ± 0.019°
• γ: 90°
• Cell volume: 2262.2 ± 1.5 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: 0.0668
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No