Information card for entry 2217853

Structure parameters

• Common name: PNP-Rha
• Chemical name: 4-Nitrophenyl α-L-rhamnopyranoside
• Formula: C12 H16 N O7.5
• Calculated formula: C12 H16 N O7.5
• SMILES: O1[C@@H](Oc2ccc(N(=O)=O)cc2)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1C.O
• Title of publication: 4-Nitrophenyl α-<small>L</small>-rhamnopyranoside hemihydrate
• Authors of publication: Zhang, Jianbo; Fu, Jie; Chen, Xuan; Gu, Yijun; Tang, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o714
• a: 10.6189 ± 0.001 Å
• b: 6.9002 ± 0.0007 Å
• c: 18.9318 ± 0.0018 Å
• α: 90°
• β: 100.909 ± 0.002°
• γ: 90°
• Cell volume: 1362.1 ± 0.2 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: 0.0483
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes