Information card for entry 1503563

Structure parameters

• Formula: C17 H24 N2 O S
• Calculated formula: C17 H24 N2 O S
• Title of publication: Colorimetric sensing of fluoride ion by new expanded calix[4]pyrrole through anion-π interaction.
• Authors of publication: Mahanta, Sanjeev P.; Kumar, B. Sathish; Baskaran, Sambath; Sivasankar, Chinnappan; Panda, Pradeepta K.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 548 - 551
• a: 8.627 ± 0.008 Å
• b: 21.841 ± 0.008 Å
• c: 9.936 ± 0.005 Å
• α: 90°
• β: 110.68 ± 0.09°
• γ: 90°
• Cell volume: 1752 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2655
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.698
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No