Information card for entry 4123908

Structure parameters

• Formula: C24 H18 N2 O2
• Calculated formula: C24 H18 N2 O2
• SMILES: O=C1N(C(=O)[C@@H]2[C@H]1C1c3c(C2c2c1cccc2)cccc3)c1ncccc1C
• Title of publication: Measurement of Silver-π Interactions in Solution Using Molecular Torsion Balances.
• Authors of publication: Maier, Josef M.; Li, Ping; Hwang, Jungwun; Smith, Mark D.; Shimizu, Ken D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 25
• Pages of publication: 8014 - 8017
• a: 13.2851 ± 0.0007 Å
• b: 11.1971 ± 0.0006 Å
• c: 13.2994 ± 0.0008 Å
• α: 90°
• β: 116.317 ± 0.002°
• γ: 90°
• Cell volume: 1773.3 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No