Information card for entry 4107588

Structure parameters

• Formula: C17 H15 B F2 N4 O3
• Calculated formula: C17 H15 B F2 N4 O3
• SMILES: [B]1(F)(F)[n]2c(=Cc3c(n(c(c4ccc(cc4)N(=O)=O)n3)C)O1)c(cc2C)C
• 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: 7.2703 ± 0.0004 Å
• b: 14.6609 ± 0.0009 Å
• c: 15.5558 ± 0.0009 Å
• α: 76.599 ± 0.005°
• β: 86.107 ± 0.003°
• γ: 86.382 ± 0.003°
• Cell volume: 1607.29 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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 all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No