Information card for entry 1506880

Structure parameters

• Formula: C16 H20 N2 O6
• Calculated formula: C16 H20 N2 O6
• SMILES: O=C(Nc1c(cc(NC(=O)C)c(c1)C(=O)OCC)C(=O)OCC)C
• Title of publication: Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.
• Authors of publication: Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 229 - 232
• a: 4.972 ± 0.0013 Å
• b: 8.259 ± 0.002 Å
• c: 10.597 ± 0.003 Å
• α: 91.59 ± 0.005°
• β: 96.686 ± 0.005°
• γ: 105.419 ± 0.004°
• Cell volume: 415.85 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No