Information card for entry 7108867

Structure parameters

• Common name: 09041a
• Formula: C30.5 H18.5 Cl3.5 N2 O4
• Calculated formula: C30.5 H18.5 Cl3.5 N2 O4
• Title of publication: Chloride sensing via suppression of excited state intramolecular proton transfer in squaramides
• Authors of publication: Mintu Porel; Vijayakumar Ramalingam; Maciej E. Domaradzki; Victor G. Young; Vaidyanathan Ramamurthy; Rajeev S. Muthyala
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 1633 - 1635
• a: 7.4803 ± 0.0008 Å
• b: 13.4027 ± 0.0014 Å
• c: 13.7401 ± 0.0014 Å
• α: 97.037 ± 0.001°
• β: 95.374 ± 0.001°
• γ: 104.663 ± 0.001°
• Cell volume: 1311.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No