Information card for entry 7156758

Structure parameters

• Formula: C33 H38 Cl N3 O9
• Calculated formula: C33 H38 Cl N3 O9
• Title of publication: Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.
• Authors of publication: Hutskalova, Valeriia; Mykhailiuk, Pavel K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4342 - 4349
• a: 6.871 ± 0.003 Å
• b: 10.77 ± 0.005 Å
• c: 21.856 ± 0.011 Å
• α: 94.578 ± 0.01°
• β: 94.404 ± 0.01°
• γ: 102.422 ± 0.013°
• Cell volume: 1567.1 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No