Information card for entry 7234547

Structure parameters

• Formula: C20 H17 N3 O3
• Calculated formula: C20 H17 N3 O3
• SMILES: O1C(C(=C(C1(C)C)/C=C/c1c(OC)cc(OC)cc1)C#N)=C(C#N)C#N
• 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: 13.854 ± 0.002 Å
• b: 15.11 ± 0.002 Å
• c: 16.697 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3495.2 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0253
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No