Information card for entry 7059325

Structure parameters

• Common name: Fujita215-2
• Formula: C31 H33 N O12
• Calculated formula: C31 H33 N O12
• Title of publication: Chromogenic agents built around a multifunctional double-triazine framework for enzymatically triggered cross-linking under physiological conditions
• Authors of publication: Fujita, Hikaru; Zhang, Yunlong; Wu, Zhiyuan; Lindsey, Jonathan S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 3856 - 3867
• a: 5.6782 ± 0.0002 Å
• b: 11.7351 ± 0.0004 Å
• c: 12.7603 ± 0.0004 Å
• α: 115.226 ± 0.0009°
• β: 101.818 ± 0.001°
• γ: 93.6185 ± 0.0011°
• Cell volume: 741.94 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No