Information card for entry 2100688

Structure parameters

• Chemical name: strychninium hydrogen N-4-nitrobenzoyl-L-aspartate 3.75-hydrate
• Formula: C32 H39.5 N4 O12.75
• Calculated formula: C32 H38.5 N4 O12.75
• Title of publication: Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine
• Authors of publication: A. Bialonska; Z. Ciunik
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1061 - 1070
• a: 7.536 ± 0.002 Å
• b: 11.092 ± 0.002 Å
• c: 19.54 ± 0.002 Å
• α: 90°
• β: 98.55 ± 0.03°
• γ: 90°
• Cell volume: 1615.2 ± 0.6 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: 0.0602
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No