Information card for entry 4024882

Structure parameters

• Formula: C78 H148 Br4 N20 O37 P6
• Calculated formula: C78 H130 Br4 N20 O37 P6
• Title of publication: Exploring the Binding Ability of Phenanthroline-Based Polyammonium Receptors for Anions: Hints for Design of Selective Chemosensors for Nucleotides
• Authors of publication: Carla Bazzicalupi; Andrea Bencini; Silvia Biagini; Enrico Faggi; Stefano Meini; Claudia Giorgi; Alessio Spepi; Barbara Valtancoli
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7349 - 7363
• a: 13.1824 ± 0.0008 Å
• b: 14.2832 ± 0.0009 Å
• c: 17.092 ± 0.001 Å
• α: 91.782 ± 0.005°
• β: 109.531 ± 0.005°
• γ: 115.968 ± 0.006°
• Cell volume: 2666.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1686
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No