Information card for entry 7234549

Structure parameters

• Formula: C21 H19 N3 O4
• Calculated formula: C21 H19 N3 O4
• SMILES: O1C(C(/C=C/c2c(OC)c(OC)c(OC)cc2)=C(C1=C(C#N)C#N)C#N)(C)C
• Title of publication: Solid state red biphotonic excited emission from small dipolar fluorophores
• Authors of publication: Martin Ipuy; Yuan-Yuan Liao; Erwann Jeanneau; Patrice L. Baldeck; Yann Bretonniere; Chantal Andraud
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 766 - 779
• a: 15.229 ± 0.002 Å
• b: 7.5088 ± 0.0007 Å
• c: 16.639 ± 0.001 Å
• α: 90°
• β: 92.397 ± 0.007°
• γ: 90°
• Cell volume: 1901 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0762
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections: 0.1412
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No