Information card for entry 1572775

Structure parameters

• Formula: C45 H37 B Cl3 F2 N9 O2
• Calculated formula: C45 H37 B Cl3 F2 N9 O2
• Title of publication: Observing bioorthogonal macrocyclizations in the nuclear envelope of live cells using on/on fluorescence lifetime microscopy.
• Authors of publication: Pim, Sebastian; Bourgès, Anaïs C; Wu, Dan; Durán-Sampedro, Gonzalo; Garre, Massimiliano; O'Shea, Donal F
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 14913 - 14923
• a: 11.0839 ± 0.0013 Å
• b: 13.719 ± 0.002 Å
• c: 15.383 ± 0.003 Å
• α: 106.314 ± 0.005°
• β: 104.337 ± 0.004°
• γ: 105.219 ± 0.003°
• Cell volume: 2031.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No