Information card for entry 7220754

Structure parameters

• Formula: C26 H29 N O6
• Calculated formula: C26 H29 N O6
• SMILES: O(CC1c2ccccc2c2ccccc12)C(=O)N[C@H](C(=O)O)Cc1ccccc1.OC.OC
• 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: 13.076 ± 0.006 Å
• b: 4.887 ± 0.002 Å
• c: 18.998 ± 0.009 Å
• α: 90°
• β: 106.417 ± 0.011°
• γ: 90°
• Cell volume: 1164.5 ± 0.9 ų
• Cell temperature: 100 ± 2 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: 0.1548
• Residual factor for significantly intense reflections: 0.1269
• Weighted residual factors for significantly intense reflections: 0.3191
• Weighted residual factors for all reflections included in the refinement: 0.3389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No