Information card for entry 2104300

Structure parameters

• Formula: C44 H30 N2 O8
• Calculated formula: C44 H30 N2 O8
• SMILES: [C@@H]1([C@@H](CCCC1)OC(=O)c1c(cccc1)N1C(=O)c2cccc3cccc(c23)C1=O)OC(=O)c1c(cccc1)N1C(=O)c2cccc3cccc(c23)C1=O
• Title of publication: Probing the shapes of chiral bis-(<i>o</i>-naphthalimidobenzoyl) systems using X-ray and circular dichroism methods
• Authors of publication: Rychlewska, Urszula; Plutecka, Agnieszka; Hoffmann, Marcin; Skowronek, Paweł; Gawrońska, Krystyna; Gawroński, Jacek
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: 86 - 95
• a: 11.873 ± 0.002 Å
• b: 11.873 ± 0.002 Å
• c: 43.046 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5255.1 ± 1.7 ų
• Cell temperature: 140 ± 0.5 K
• Ambient diffraction temperature: 140 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes