Information card for entry 7050216

Structure parameters

• Formula: C25 H5 F15 N3 O3
• Calculated formula: C25 H5 F15 N3 O3
• Title of publication: Modification of channel structures by fluorination
• Authors of publication: Katharina Reichenbächer; Heike I. Süss; Helen Stoeckli-Evans; Silvia Bracco; Piero Sozzani; Edwin Weber; Jürg Hulliger
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 393 - 397
• a: 5.9555 ± 0.0005 Å
• b: 13.5912 ± 0.0012 Å
• c: 16.1207 ± 0.0014 Å
• α: 111.055 ± 0.01°
• β: 91.871 ± 0.01°
• γ: 95.776 ± 0.01°
• Cell volume: 1208.2 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.845
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No