Information card for entry 7110518

Structure parameters

• Chemical name: bis(R,R)-(-)-trans-2,3-bis(diphenylhydroxymethyl)-1,4-dioxaspiro(4.4)nonane N-nitroso-4-phenylpiperidine clathrate
• Formula: C44 H46 N2 O5
• Calculated formula: C44 H46 N2 O5
• Title of publication: N-Nitrosopiperidines with chirality solely due to hindered rotation about the N‒N bond: enantioselective inclusion complexation with optically active hosts
• Authors of publication: Olszewska, Teresa; Milewska, Maria J.; Połoński, Tadeusz; Gdaniec, Maria
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 1385
• a: 11.292 ± 0.002 Å
• b: 9.536 ± 0.002 Å
• c: 17.654 ± 0.004 Å
• α: 90°
• β: 97.04 ± 0.02°
• γ: 90°
• Cell volume: 1886.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.1108
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No