Information card for entry 7127828

Structure parameters

• Formula: C15 H16 B Cl F2 N2
• Calculated formula: C15 H16 B Cl F2 N2
• Title of publication: Substituted <i>meso</i>-vinyl-BODIPY as thiol-selective fluorogenic probes for sensing unfolded proteins in the endoplasmic reticulum.
• Authors of publication: Mu, Huiying; Miki, Koji; Kubo, Takuya; Otsuka, Koji; Ohe, Kouichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 14
• Pages of publication: 1818 - 1821
• a: 8.337 ± 0.008 Å
• b: 8.954 ± 0.009 Å
• c: 10.867 ± 0.011 Å
• α: 109.95 ± 0.01°
• β: 102.666 ± 0.011°
• γ: 98.075 ± 0.006°
• Cell volume: 723.2 ± 1.2 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No