Information card for entry 2022218

Structure parameters

• Chemical name: Tetrapropylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane
• Formula: C20 H40 B N5 O8
• Calculated formula: C20 H40 B N5 O8
• SMILES: O=C(N)[C@@H]1O[B]2(O[C@H]1C(=O)N)O[C@@H](C(=O)N)[C@@H](O2)C(=O)N.[N+](CCC)(CCC)(CCC)CCC
• Title of publication: Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)
• Authors of publication: Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 695 - 705
• a: 9.72506 ± 0.00016 Å
• b: 13.58223 ± 0.00015 Å
• c: 10.4099 ± 0.00017 Å
• α: 90°
• β: 116.071 ± 0.002°
• γ: 90°
• Cell volume: 1235.11 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes