Information card for entry 4024202

Structure parameters

• Formula: C70 H81 Cl8 N O7
• Calculated formula: C70 H81 Cl8 N O7
• Title of publication: Calix[4]arene-Based, Hg^2+^-Induced Intramolecular Fluorescence Resonance Energy Transfer Chemosensor
• Authors of publication: Amel Ben Othman; Jeong Won Lee; Jia-Sheng Wu; Jong Seung Kim; Rym Abidi; Pierre Thuéry; Jean Marc Strub; Alain Van Dorsselaer; Jacques Vicens
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7634 - 7640
• a: 12.7203 ± 0.0011 Å
• b: 45.428 ± 0.004 Å
• c: 11.6976 ± 0.0006 Å
• α: 90°
• β: 91.788 ± 0.005°
• γ: 90°
• Cell volume: 6756.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.135
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.2705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No