Information card for entry 4514171

Structure parameters

• Formula: C22 H28 N2 O4
• Calculated formula: C22 H28 N2 O4
• SMILES: [O-]C(=O)CC[C@@H](NC(=O)CC[C@@H]([NH3+])Cc1ccccc1)Cc1ccccc1.O
• Title of publication: Backbone Engineered γ-Peptide Amphitropic Gels for Immobilization of Semiconductor Quantum Dots and 2D Cell Culture.
• Authors of publication: Misra, Rajkumar; Sharma, Aman; Shiras, Anjali; Gopi, Hosahudya N.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 31
• Pages of publication: 7762 - 7768
• a: 5.014 ± 0.001 Å
• b: 11.531 ± 0.002 Å
• c: 18.198 ± 0.004 Å
• α: 90.266 ± 0.005°
• β: 95.463 ± 0.004°
• γ: 90.212 ± 0.005°
• Cell volume: 1047.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No