Information card for entry 4023228

Structure parameters

• Formula: C42 H44 N10 O4
• Calculated formula: C42 H44 N10 O4
• Title of publication: New Chromogenic and Fluorescent Probes for Anion Detection: Formation of a [2 + 2] Supramolecular Complex on Addition of Fluoride with Positive Homotropic Cooperativity
• Authors of publication: Chan-Yu Chen; Tzu-Pin Lin; Chine-Kun Chen; Su-Ching Lin; Mei-Chun Tseng; Yuh-Sheng Wen; Shih-Sheng Sun
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 900 - 911
• a: 9.8797 ± 0.0005 Å
• b: 12.9092 ± 0.0007 Å
• c: 15.6505 ± 0.0008 Å
• α: 78.569 ± 0.003°
• β: 79.168 ± 0.004°
• γ: 76.872 ± 0.003°
• Cell volume: 1883.85 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1863
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No