Information card for entry 2104172

Structure parameters

• Common name: N-methylpiperidine betaine hemihexafluorosilicate hydrate
• Chemical name: N-carboxymethyl-N-methylpiperidinium hemihexafluorosilicate hydrate
• Formula: C16 H33 F3 N2 O5 Si0.5
• Calculated formula: C16 H32.3333 F3 N2 O5 Si0.5
• Title of publication: Conformational richness and multiple <i>Z</i>' in salt co-crystal of <i>N</i>-methylpiperidine betaine with <i>N</i>-methylpiperidine betaine hexafluorosilicate
• Authors of publication: Thaimattam, Ram; Szafran, Miroslaw; Dega-Szafran, Zofia; Jaskolski, Mariusz
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: 483 - 490
• a: 11.554 ± 0.002 Å
• b: 12.621 ± 0.003 Å
• c: 22.763 ± 0.005 Å
• α: 83.87 ± 0.03°
• β: 84.81 ± 0.03°
• γ: 63.86 ± 0.03°
• Cell volume: 2959.3 ± 1.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes