Information card for entry 7204174

Structure parameters

• Common name: p-tetrakis(4-nitrophenylazo)-tetrahydroxythiacalix[4]arene
• Chemical name: p-tetrakis(4-nitrophenylazo)-tetrahydroxythiacalix[4]arene
• Formula: C83 H63 N19 O12 S4
• Calculated formula: C83 H63 N19 O12 S4
• Title of publication: Synthesis, characterization and optical power limiting behaviour of phenylazo- and 4-nitrophenylazo-tetrahydroxytetrathiacalix[4]arene
• Authors of publication: Cédric Desroches; Stéphane Parola; Francis Vocanson; Noëlle Ehlinger; Philippe Miele; Roger Lamartine; Jean Bouix; Anders Eriksson; Mikael Lindgren; Cesar Lopes
• Journal of publication: J. Mater. Chem.
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 3014 - 3017
• a: 10.7076 ± 0.0005 Å
• b: 13.6925 ± 0.0005 Å
• c: 15.3195 ± 0.0006 Å
• α: 65.773 ± 0.002°
• β: 70.237 ± 0.002°
• γ: 88.749 ± 0.002°
• Cell volume: 1909.62 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1571
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No