Information card for entry 7224273

Structure parameters

• Formula: C29 H26 N6 O2
• Calculated formula: C29 H26 N6 O2
• SMILES: O=C1c2ccccc2C2=C1C1(NC(=C2C#N)[C-](C#N)C#N)C(=O)Nc2c1cccc2.[NH+](CC)(CC)CC
• Title of publication: A highly efficient one-pot synthesis of indenopyridine-fused spirocyclic systems
• Authors of publication: Imani Shakibaei, Ghazaleh; Bazgir, Ayoob
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.898 ± 0.004 Å
• b: 11.774 ± 0.006 Å
• c: 12.676 ± 0.007 Å
• α: 80.45 ± 0.04°
• β: 81.87 ± 0.04°
• γ: 89.64 ± 0.04°
• Cell volume: 1296.2 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2332
• Residual factor for significantly intense reflections: 0.1464
• Weighted residual factors for significantly intense reflections: 0.3138
• Weighted residual factors for all reflections included in the refinement: 0.3672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No