Information card for entry 7119234

Structure parameters

• Formula: C38 H56 N4 O10
• Calculated formula: C37.9999 H55.9997 N4 O9.99994
• Title of publication: An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.
• Authors of publication: Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 313 - 316
• a: 10.0905 ± 0.0006 Å
• b: 10.9163 ± 0.0006 Å
• c: 18.1284 ± 0.001 Å
• α: 96.711 ± 0.001°
• β: 93.445 ± 0.001°
• γ: 101.685 ± 0.001°
• Cell volume: 1934.86 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.3158
• Weighted residual factors for all reflections included in the refinement: 0.3546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.464
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No