Information card for entry 7110517

Structure parameters

• Chemical name: bis(R,R)-(-)-trans-2,3-bis(diphenylhydroxymethyl)-1,4-dioxaspiro(4.4)nonane N-nitroso-4-benzylpiperidine 2:1 clathrate
• Formula: C78 H80 N2 O9
• Calculated formula: C78 H80 N2 O9
• 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: 35.72 ± 0.007 Å
• b: 8.605 ± 0.002 Å
• c: 23.661 ± 0.005 Å
• α: 90°
• β: 117.94 ± 0.03°
• γ: 90°
• Cell volume: 6425 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.102
• Goodness-of-fit parameter for all reflections: 1.069
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No