Information card for entry 7205594

Structure parameters

• Chemical name: (R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMA solvate
• Formula: C38 H43 N O5
• Calculated formula: C38 H43 N O5
• Title of publication: Selectivity of amides by host‒guest inclusion
• Authors of publication: Báthori, Nikoletta B.; Nassimbeni, Luigi R.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3156
• a: 9.4536 ± 0.0019 Å
• b: 9.946 ± 0.002 Å
• c: 17.296 ± 0.004 Å
• α: 98.88 ± 0.03°
• β: 98.57 ± 0.03°
• γ: 91.31 ± 0.03°
• Cell volume: 1587.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No