Information card for entry 4037614

Structure parameters

• Formula: C17 H10 N2 O6
• Calculated formula: C17 H10 N2 O6
• Title of publication: Synthesis of functionalized chiral carbocyclic cleft molecules complementary to Tröger's base derivatives.
• Authors of publication: Kimber, M. C.; Try, A. C.; Painter, L.; Harding, M. M.; Turner, P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2000
• Journal volume: 65
• Journal issue: 10
• Pages of publication: 3042 - 3046
• a: 11.763 ± 0.001 Å
• b: 10.521 ± 0.002 Å
• c: 11.45 ± 0.001 Å
• α: 90°
• β: 92.85 ± 0.01°
• γ: 90°
• Cell volume: 1415.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No