Information card for entry 4107585

Structure parameters

• Formula: C17 H15 B F2 I N3 O
• Calculated formula: C17 H15 B F2 I N3 O
• SMILES: Ic1ccc(C2=[N]3[B](F)(F)n4c(C=C3C(=O)N2C)c(cc4C)C)cc1
• Title of publication: Syntheses of Highly Fluorescent GFP-Chromophore Analogues
• Authors of publication: Liangxing Wu; Kevin Burgess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4089 - 4096
• a: 9.2865 ± 0.0019 Å
• b: 9.557 ± 0.002 Å
• c: 11.18 ± 0.002 Å
• α: 76.516 ± 0.003°
• β: 68.717 ± 0.003°
• γ: 79.799 ± 0.003°
• Cell volume: 894.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No