Information card for entry 7105105

Structure parameters

• Formula: C22 H16 N2 O2
• Calculated formula: C22 H16 N2 O2
• SMILES: OC(=O)/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C#N
• Title of publication: Switching and tuning organic solid-state luminescence via a supramolecular approach
• Authors of publication: Savarimuthu Philip Anthony; Sunil Varughese; Sylvia M. Draper
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7500 - 7502
• a: 13.568 ± 0.001 Å
• b: 9.459 ± 0.001 Å
• c: 13.642 ± 0.001 Å
• α: 90°
• β: 104.167 ± 0.002°
• γ: 90°
• Cell volume: 1697.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No