Information card for entry 2312350

Structure parameters

• Chemical name: <i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine dichloromethane 0.1-solvate
• Formula: C29.1 H25.2 Cl0.2 N O4
• Calculated formula: C29.1 H25.2 Cl0.2 N O4
• Title of publication: Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.
• Authors of publication: Czapik, Agnieszka; Kwit, Marcin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2021
• Journal volume: 77
• Journal issue: Pt 12
• Pages of publication: 745 - 756
• a: 9.28862 ± 0.00009 Å
• b: 10.34013 ± 0.00009 Å
• c: 24.3525 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2338.95 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes