Information card for entry 7150693

Structure parameters

• Formula: C64 H64 N4 O10 S2
• Calculated formula: C64 H64 N4 O10 S2
• Title of publication: Planar chiral asymmetric naphthalenediimide cyclophanes: synthesis, characterization and tunable FRET properties
• Authors of publication: Gabutti, Sandro; Schaffner, Silvia; Neuburger, Markus; Fischer, Matthias; Schäfer, Gabriel; Mayor, Marcel
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3222 - 3229
• a: 15.4787 ± 0.0005 Å
• b: 23.2471 ± 0.0006 Å
• c: 31.7802 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11435.6 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0525
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No