Information card for entry 7224274

Structure parameters

• Formula: C26 H16 N6 O2
• Calculated formula: C26 H16 N6 O2
• SMILES: c12ccccc1[C@]1(C(=O)N2C)[C@H]2C(=O)c3ccccc3C2=C(C#N)C(=C(C#N)C#N)N1.CC#N.c12ccccc1[C@@]1(C(=O)N2C)[C@@H]2C(=O)c3ccccc3C2=C(C#N)C(=C(C#N)C#N)N1.CC#N
• 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: 8.0008 ± 0.0011 Å
• b: 11.6372 ± 0.0018 Å
• c: 12.3753 ± 0.0018 Å
• α: 87.946 ± 0.012°
• β: 72.447 ± 0.011°
• γ: 85.708 ± 0.012°
• Cell volume: 1095.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.2178
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No