Information card for entry 7154082

Structure parameters

• Common name: macrocycle
• Formula: C22 H22 N2 O4
• Calculated formula: C22 H22 N2 O4
• Title of publication: Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.
• Authors of publication: Muthusamy, Sengodagounder; Karikalan, Thangaraju
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 45
• Pages of publication: 9243 - 9256
• a: 7.9479 ± 0.0002 Å
• b: 9.0065 ± 0.0002 Å
• c: 14.445 ± 0.0003 Å
• α: 75.8 ± 0.001°
• β: 77.803 ± 0.001°
• γ: 72.644 ± 0.001°
• Cell volume: 946.06 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0843
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No