Information card for entry 7105104

Structure parameters

• Formula: C26 H25 N3 O2
• Calculated formula: C26 H25 N3 O2
• SMILES: OC(=O)C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)\C#N.N1CCCC1
• 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: 9.461 ± 0.001 Å
• b: 25.424 ± 0.002 Å
• c: 11.161 ± 0.001 Å
• α: 90°
• β: 125.704 ± 0.005°
• γ: 90°
• Cell volume: 2180 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No