Information card for entry 7205591

Structure parameters

• Common name: (R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4- dioxaspiro(4,5)decane NMF solvate
• Chemical name: (R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane NMF solvate
• Formula: C36 H39 N O5
• Calculated formula: C36 H39 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: 9.3699 ± 0.0014 Å
• b: 32.679 ± 0.005 Å
• c: 10.0882 ± 0.0015 Å
• α: 90°
• β: 93.835 ± 0.004°
• γ: 90°
• Cell volume: 3082.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No