Information card for entry 7105868

Structure parameters

• Formula: C32 H33 N3 O6
• Calculated formula: C32 H33 N3 O6
• SMILES: O=C(NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)Cc1ccc2ccccc2c1.O
• Title of publication: Anti-degradation of a recombinant complex protein by incoporation in small molecular hydrogels
• Authors of publication: Huaimin Wang; Zheng Wang; Xiaoyi Yi; Jiafu Long; Jianfeng Liu; Zhimou Yang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 955
• a: 9.5455 ± 0.0006 Å
• b: 14.7281 ± 0.001 Å
• c: 20.673 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2906.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No