Information card for entry 1502035

Structure parameters

• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• SMILES: O1c2ccccc2C(=O)N2[C@H](CC[C@@H]12)c1ccccc1.O1c2ccccc2C(=O)N2[C@@H](CC[C@H]12)c1ccccc1
• Title of publication: A catalytic route to ampakines and their derivatives.
• Authors of publication: Mulzer, Michael; Coates, Geoffrey W.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1426 - 1428
• a: 8.4225 ± 0.0004 Å
• b: 13.77 ± 0.0007 Å
• c: 11.5762 ± 0.0005 Å
• α: 90°
• β: 104.075 ± 0.002°
• γ: 90°
• Cell volume: 1302.28 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No