Information card for entry 7208752

Structure parameters

• Formula: C24 H28 N2 O8
• Calculated formula: C24 H28 N2 O8
• SMILES: c1c2c(cc3c1C(=O)N([C@@H](CC(C)C)C(=O)OC)C3=O)C(=O)N([C@@H](CC(C)C)C(=O)OC)C2=O
• Title of publication: Insights into H-aggregates and CH⋯O hydrogen bond mediated self-assembly of pyromellitic bisimide
• Authors of publication: Jana, Poulami; Maity, Sibaprasad; Maity, Suman Kumar; Ghorai, Pradip Kumar; Haldar, Debasish
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6586
• a: 10.343 ± 0.0011 Å
• b: 10.4839 ± 0.0011 Å
• c: 11.3463 ± 0.0012 Å
• α: 90°
• β: 91.229 ± 0.003°
• γ: 90°
• Cell volume: 1230.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No