Information card for entry 4511349

Structure parameters

• Formula: C28 H28 N2 O9
• Calculated formula: C28 H28 N2 O9
• SMILES: O=C(Nc1cc(cc(NC(=O)c2cccc(c2OC)C(=O)OC)c1OC)C)c1cccc(c1OC)C(=O)OC
• Title of publication: F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study
• Authors of publication: Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1490
• a: 18.5875 ± 0.0018 Å
• b: 7.3555 ± 0.0007 Å
• c: 20.905 ± 0.002 Å
• α: 90°
• β: 114.532 ± 0.002°
• γ: 90°
• Cell volume: 2600.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0549
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No