Information card for entry 7121320

Structure parameters

• Formula: C24 H32 N2 O6
• Calculated formula: C24 H32 N2 O6
• Title of publication: Accessing highly functionalized cyclopentanoids via a cascade palladation approach: unprecedented benzylic C-H activation towards cyclopentenoindanes.
• Authors of publication: Santhini, P. V.; Smrithy, A. S.; Irfana Jesin, C. P.; Varughese, Sunil; John, Jubi; Radhakrishnan, K. V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 2982 - 2985
• a: 13.677 ± 0.009 Å
• b: 17.67 ± 0.012 Å
• c: 10.71 ± 0.007 Å
• α: 90°
• β: 106.085 ± 0.014°
• γ: 90°
• Cell volume: 2487 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1041
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No