Information card for entry 7134125

Structure parameters

• Formula: C17 H30 N6 O3
• Calculated formula: C17 H30 N6 O3
• Title of publication: Rational design strategies for innovative small-molecule scaffolds inspired by three pivotal protein secondary structures.
• Authors of publication: Yoo, Jeong Yeon; Kim, Chanwoo; Kwon, Ji Hoon; Cho, Hana; Jeong, Kiyoung; Park, Wonwoo; Kim, Younghun; Lee, Dongwhan; Park, Seung Bum
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 11
• Pages of publication: 2285 - 2288
• a: 9.4842 ± 0.0006 Å
• b: 10.3978 ± 0.0007 Å
• c: 11.3997 ± 0.0008 Å
• α: 114.68 ± 0.002°
• β: 111.139 ± 0.002°
• γ: 91.753 ± 0.002°
• Cell volume: 930.73 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1228
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No