Information card for entry 4349614

Structure parameters

• Formula: C18 H11 N3 O4
• Calculated formula: C18 H11 N3 O4
• SMILES: O=C1N(Cc2cccnc2)C(=O)c2ccc(N(=O)=O)c3cccc1c23
• Title of publication: Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours
• Authors of publication: Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 296
• a: 6.992 ± 0.0004 Å
• b: 18.0217 ± 0.0014 Å
• c: 22.5014 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2835.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.1173
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No