Information card for entry 7234546

Structure parameters

• Formula: C20 H17 N3 O3
• Calculated formula: C20 H17 N3 O3
• SMILES: O(c1c(/C=C/C2=C(C(OC2(C)C)=C(C#N)C#N)C#N)cccc1OC)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: 8.0071 ± 0.0005 Å
• b: 15.2572 ± 0.0008 Å
• c: 14.989 ± 0.001 Å
• α: 90°
• β: 102.87 ± 0.006°
• γ: 90°
• Cell volume: 1785.14 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No