Information card for entry 7154081

Structure parameters

• Formula: C29 H37 N O5
• Calculated formula: C29 H37 N O5
• SMILES: O1C2c3c(N(C2=O)CCCCCCOc2c(cccc2)C(=O)OCCCCCCCC1)cccc3
• 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: 8.8916 ± 0.0003 Å
• b: 34.6623 ± 0.0015 Å
• c: 8.5392 ± 0.0003 Å
• α: 90°
• β: 96.831 ± 0.002°
• γ: 90°
• Cell volume: 2613.13 ± 0.17 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6651
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No