Information card for entry 7017084

Structure parameters

• Formula: C70 H85 Cl15 N2 O7
• Calculated formula: C70 H85 Cl15 N2 O7
• Title of publication: Role of the conformational changes brought in the arms of the 1,3-di-capped conjugate of calix[4]arene (L) in turning on the fluorescence of L by Hg(2+).
• Authors of publication: Bandela, Anilkumar; Chinta, Jugun Prakash; Rao, Chebrolu P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11367 - 11370
• a: 16.8707 ± 0.0005 Å
• b: 27.9775 ± 0.0007 Å
• c: 17.3438 ± 0.0004 Å
• α: 90°
• β: 104.859 ± 0.003°
• γ: 90°
• Cell volume: 7912.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No