Information card for entry 2214689

Structure parameters

• Chemical name: N,N'-(Pyrene-1,8-diyl)bis(2,3-dimethoxybenzaldehyde)
• Formula: C34 H28 N2 O6
• Calculated formula: C34 H28 N2 O6
• SMILES: O(c1cccc(C(=O)Nc2ccc3ccc4ccc(NC(=O)c5cccc(OC)c5OC)c5ccc2c3c45)c1OC)C
• Title of publication: <i>N</i>,<i>N</i>'-(Pyrene-1,8-diyl)bis(2,3-dimethoxybenzaldehyde)
• Authors of publication: Davenport, Timothy C.; Gleason, Arianna E.; Liska, Peter J.; Mugridge, Jeffrey S.; Pluth, Michael D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3621 - o3621
• a: 12.5065 ± 0.0009 Å
• b: 15.074 ± 0.001 Å
• c: 28.223 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5320.7 ± 0.6 ų
• Cell temperature: 141.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 2.161
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes