Information card for entry 7156757

Structure parameters

• Formula: C34 H28 Cl N3 O3
• Calculated formula: C34 H28 Cl N3 O3
• 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: 6.2201 ± 0.0007 Å
• b: 12.705 ± 0.0014 Å
• c: 35.317 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2791 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No