Information card for entry 1507128

Structure parameters

• Formula: C49 H61 Cl F3 N5 O9 S
• Calculated formula: C49 H61 Cl F3 N5 O9 S
• Title of publication: Aminopyridine-benzoxanthene enantioselective receptor for sulfonylamino acids.
• Authors of publication: Oliva, Ana I.; Simón, Luis; Muñiz, Francisco M; Sanz, Francisca; Morán, Joaquín R
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1155 - 1157
• a: 10.926 ± 0.002 Å
• b: 13.142 ± 0.003 Å
• c: 19.484 ± 0.004 Å
• α: 89.77 ± 0.03°
• β: 87.76 ± 0.03°
• γ: 72.31 ± 0.03°
• Cell volume: 2663.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2371
• Residual factor for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections: 0.3148
• Weighted residual factors for significantly intense reflections: 0.2315
• Goodness-of-fit parameter for all reflections: 1.24
• Goodness-of-fit parameter for significantly intense reflections: 1.281
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No