Information card for entry 7118462

Structure parameters

• Formula: C25 H31 N3 O4
• Calculated formula: C25 H31 N3 O4
• SMILES: O=C(NC1CCCCC1)CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(cc(c1)C)C
• Title of publication: Rational design and diversity-oriented synthesis of peptoid-based selective HDAC6 inhibitors.
• Authors of publication: Diedrich, D.; Hamacher, A.; Gertzen, C. G. W.; Alves Avelar, L. A.; Reiss, G. J.; Kurz, T.; Gohlke, H.; Kassack, M. U.; Hansen, F. K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3219 - 3222
• a: 9.302 ± 0.0004 Å
• b: 15.8206 ± 0.0005 Å
• c: 32.7189 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4815 ± 0.3 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No