Information card for entry 2232397

Structure parameters

• Chemical name: Bis(diisopropylammonium) naphthalene-1,5-disulfonate
• Formula: C22 H38 N2 O6 S2
• Calculated formula: C22 H38 N2 O6 S2
• SMILES: c1c(c2c(c(ccc2)S(=O)(=O)[O-])cc1)S(=O)(=O)[O-].CC(C)[NH2+]C(C)C.CC(C)[NH2+]C(C)C
• Title of publication: Bis(diisopropylammonium) naphthalene-1,5-disulfonate
• Authors of publication: Jin, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3048
• a: 7.9518 ± 0.0016 Å
• b: 9.1215 ± 0.0018 Å
• c: 9.4319 ± 0.0019 Å
• α: 74.33 ± 0.03°
• β: 88.6 ± 0.03°
• γ: 74.74 ± 0.03°
• Cell volume: 634.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes