Information card for entry 2228317

Structure parameters

• Common name: isponipecotamide biphenyl-4,4'-disulfonate
• Chemical name: bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate
• Formula: C24 H34 N4 O8 S2
• Calculated formula: C24 H34 N4 O8 S2
• Title of publication: Bis(4-carbamoylpiperidinium) biphenyl-4,4'-disulfonate
• Authors of publication: Smith, Graham; Wermuth, Urs D.; Young, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3160 - o3161
• a: 8.253 ± 0.0004 Å
• b: 16.0418 ± 0.0008 Å
• c: 16.7408 ± 0.0011 Å
• α: 112.255 ± 0.005°
• β: 97.166 ± 0.005°
• γ: 101.714 ± 0.004°
• Cell volume: 1958.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes