Information card for entry 7135725

Structure parameters

• Formula: C28 H34 N2 O8
• Calculated formula: C28 H34 N2 O8
• Title of publication: Design and concise synthesis of halicyclamine-inspired bis-macrocycles targeting DedA membrane proteins.
• Authors of publication: Wayama, Toshiaki; Horinouchi, Riku; Arai, Masayoshi; Ohashi, Hirofumi; Watashi, Koichi; Yoshida, Satoshi; Sato, Sota; Tsukamoto, Sachiko; Oguri, Hiroki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 35
• Pages of publication: 9011 - 9015
• a: 23.609 ± 0.007 Å
• b: 7.549 ± 0.002 Å
• c: 17.523 ± 0.005 Å
• α: 90°
• β: 122.968 ± 0.019°
• γ: 90°
• Cell volume: 2620.1 ± 1.4 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No