Information card for entry 7134127

Structure parameters

• Formula: C31 H38 N6 O4
• Calculated formula: C31 H38 N6 O4
• 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: 10.1431 ± 0.0001 Å
• b: 25.1649 ± 0.0004 Å
• c: 28.1114 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7175.44 ± 0.17 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2794
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No