Information card for entry 7121319

Structure parameters

• Formula: C23 H29 Br N5 O6
• Calculated formula: C23 H29 Br N5 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: 10.716 ± 0.003 Å
• b: 18.53 ± 0.004 Å
• c: 13.213 ± 0.003 Å
• α: 90°
• β: 91.445 ± 0.006°
• γ: 90°
• Cell volume: 2622.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No