Information card for entry 2001636

Structure parameters

• Formula: C44 H47 N O5
• Calculated formula: C44 H47 N O5
• Title of publication: Structures of the 1:1 and 2:1 adducts of (+)-(<i>S</i>)-[2.2]paracyclophane-4-carboxylic acid and (‒)-ephedrine
• Authors of publication: Jones, P. G.; Döring, D.; Laue, T.; Hopf, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1192 - 1195
• a: 13.771 ± 0.003 Å
• b: 7.788 ± 0.002 Å
• c: 17.357 ± 0.004 Å
• α: 90°
• β: 106.39 ± 0.02°
• γ: 90°
• Cell volume: 1785.9 ± 0.8 ų
• Cell temperature: 178 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 significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No