Information card for entry 4508823

Structure parameters

• Common name: HY 3/159
• Formula: C13 H18 N O3 P
• Calculated formula: C13 H18 N O3 P
• Title of publication: WhenZ‘ = 2 Is Better thanZ‘ = 1Supramolecular Centrosymmetric Hydrogen-Bonded Dimers in Chiral Systems
• Authors of publication: Anderson, Kirsty M.; Afarinkia, Kamyar; Yu, Hiu-wan; Goeta, Andrés E.; Steed, Jonathan W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2109
• a: 15.7677 ± 0.0007 Å
• b: 10.2895 ± 0.0005 Å
• c: 17.2299 ± 0.0008 Å
• α: 90°
• β: 101.886 ± 0.002°
• γ: 90°
• Cell volume: 2735.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No