Information card for entry 7208753

Structure parameters

• Formula: C30 H24 N2 O8
• Calculated formula: C30 H24 N2 O8
• SMILES: c1ccc(C[C@@H](N2C(=O)c3c(C2=O)cc2C(=O)N([C@@H](Cc4ccccc4)C(=O)OC)C(=O)c2c3)C(=O)OC)cc1
• 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: 13.218 ± 0.004 Å
• b: 5.8309 ± 0.0018 Å
• c: 18.241 ± 0.006 Å
• α: 90°
• β: 108.237 ± 0.015°
• γ: 90°
• Cell volume: 1335.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No