Information card for entry 2006251

Structure parameters

• Common name: α-PNM
• Chemical name: 4'-nitrophenyl-α-D-mannopyranoside
• Formula: C14 H21 N O9
• Calculated formula: C14.02 H15 N O9.01
• Title of publication: <i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Ethanol Solvate
• Authors of publication: Agianian, Bogos; Perrakis, Anastassis; Kanellopoulos, Panagiotis N.; Sheldrick, Bernard; Hamodrakas, Stavros J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 811 - 814
• a: 7.29 ± 0.003 Å
• b: 7.926 ± 0.003 Å
• c: 14.654 ± 0.004 Å
• α: 90°
• β: 92.94 ± 0.07°
• γ: 90°
• Cell volume: 845.6 ± 0.5 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: 0.0682
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections: 0.1767
• Weighted residual factors for significantly intense reflections: 0.1702
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No