Information card for entry 2104301

Structure parameters

• Formula: C46 H40 N4 O8 S
• Calculated formula: C46 H39.28 N4 O8 S
• 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: 22.374 ± 0.004 Å
• b: 9.319 ± 0.002 Å
• c: 20.515 ± 0.004 Å
• α: 90°
• β: 110.14 ± 0.03°
• γ: 90°
• Cell volume: 4015.9 ± 1.6 ų
• Cell temperature: 130 ± 0.5 K
• Ambient diffraction temperature: 130 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes