Information card for entry 7225351

Structure parameters

• Chemical name: Diammonium (2R,6S)-tetrahydro-2H-pyran-2,6-dicarboxylate.(2R,6S)-tetrahydro-2H-pyran-2,6-dicarboxylic acid
• Formula: C7 H13 N O5
• Calculated formula: C7 H13 N O5
• Title of publication: Concise Syntheses of Bridged Morpholines
• Authors of publication: Golding, Bernard Thomas; Pickles, James; Zaytsev, Andrey; Harnor, Suzannah; Henderson, Alistair; Alyasiri, Mohammed; Waddell, Paul G.; Cano, Celine; Griffin, Roger
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.9141 ± 0.0002 Å
• b: 9.3897 ± 0.0003 Å
• c: 14.4781 ± 0.0005 Å
• α: 101.468 ± 0.003°
• β: 96.993 ± 0.003°
• γ: 98.349 ± 0.003°
• Cell volume: 900.35 ± 0.05 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No