Information card for entry 7155996

Structure parameters

• Formula: C24 H34 N4 O5
• Calculated formula: C24 H34 N4 O5
• SMILES: C1(=O)C(CC(=O)NCc2ccc(cc2)OC)N(C(=O)N1C1(CCC1)C(=O)NCCCC)CC
• Title of publication: Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.
• Authors of publication: Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 521 - 525
• a: 7.7842 ± 0.0016 Å
• b: 19.387 ± 0.004 Å
• c: 8.315 ± 0.0017 Å
• α: 90°
• β: 106.96 ± 0.03°
• γ: 90°
• Cell volume: 1200.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No