Information card for entry 2100689

Structure parameters

• Chemical name: strychninium hydrogen N-4-nitrobenzoyl-D-aspartate 2.25-hydrate
• Formula: C32 H36.5 N4 O11.25
• Calculated formula: C32 H32 N4 O11.25
• 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: 8.197 ± 0.002 Å
• b: 9.967 ± 0.002 Å
• c: 36.351 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2969.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1631
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.2827
• Weighted residual factors for all reflections included in the refinement: 0.3269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No