Information card for entry 7250029

Structure parameters

• Chemical name: (4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane
• Formula: C40 H41 N O4
• Calculated formula: C40 H41 N O4
• Title of publication: Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound
• Authors of publication: Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 1960 - 1976
• a: 9.3267 ± 0.0009 Å
• b: 9.9858 ± 0.001 Å
• c: 18.1928 ± 0.0019 Å
• α: 81.945 ± 0.004°
• β: 78.493 ± 0.004°
• γ: 87.89 ± 0.004°
• Cell volume: 1643.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No