Information card for entry 2015091

Structure parameters

• Common name: strychninium 3,5-dinitrosalicylate
• Chemical name: strychninium 3,5-dinitrosalicylate
• Formula: C28 H26 N4 O9
• Calculated formula: C28 H26 N4 O9
• Title of publication: The proton-transfer compounds of strychnine with achiral salicylic acids: strychninium 3,5-dinitrosalicylate and the strychninium 5-nitrosalicylate bis(5-nitrosalicylic acid) adduct
• Authors of publication: Graham Smith; Urs D. Wermuth; Jonathan M. White
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o464 - o468
• a: 7.5036 ± 0.0015 Å
• b: 17.219 ± 0.003 Å
• c: 9.4799 ± 0.0019 Å
• α: 90°
• β: 96.905 ± 0.003°
• γ: 90°
• Cell volume: 1216 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes