Information card for entry 7239752

Structure parameters

• Formula: C21 H46 N4 O8
• Calculated formula: C21 H46 N4 O8
• Title of publication: Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities
• Authors of publication: Isakov, Anton I.; Lorenz, Heike; Zolotarev, Andrey A.; Kotelnikova, Elena N.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 5
• Pages of publication: 986 - 997
• a: 9.6267 ± 0.0007 Å
• b: 5.2704 ± 0.0002 Å
• c: 13.829 ± 0.0017 Å
• α: 90°
• β: 109.943 ± 0.011°
• γ: 90°
• Cell volume: 659.56 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No