Information card for entry 7220753

Structure parameters

• Formula: C24 H21 N O4
• Calculated formula: C24 H21 N O4
• SMILES: O(CC1c2ccccc2c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)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: 13.157 ± 0.0013 Å
• b: 4.9083 ± 0.0004 Å
• c: 16.1242 ± 0.0016 Å
• α: 90°
• β: 113.135 ± 0.003°
• γ: 90°
• Cell volume: 957.54 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0723
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No