Information card for entry 7059169

Structure parameters

• Common name: Fujita255-3
• Formula: C26 H30 Br N O12.5
• Calculated formula: C26 H30 Br N O12.5
• Title of publication: Enzymatically triggered chromogenic cross-linking agents under physiological conditions
• Authors of publication: Fujita, Hikaru; Dou, Jinghuai; Matsumoto, Nobuyuki; Wu, Zhiyuan; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 719 - 743
• a: 13.3401 ± 0.0008 Å
• b: 14.3756 ± 0.0009 Å
• c: 28.9203 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5546.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No