Information card for entry 7220755

Structure parameters

• Formula: C24 H23 N O6
• Calculated formula: C24 H23 N O6
• SMILES: O(CC1c2ccccc2c2ccccc12)C(=O)N[C@H](C(=O)O)Cc1ccc(O)cc1.O
• Title of publication: Hydrogels formed from Fmoc amino acids
• Authors of publication: Draper, Emily R.; Morris, Kyle L.; Little, Marc A.; Raeburn, Jaclyn; Colquhoun, Catherine; Cross, Emily R.; McDonald, Tom. O.; Serpell, Louise C.; Adams, Dave J.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 8047
• a: 18.64 ± 0.016 Å
• b: 5.992 ± 0.005 Å
• c: 18.841 ± 0.015 Å
• α: 90°
• β: 98.834 ± 0.016°
• γ: 90°
• Cell volume: 2079 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No