Information card for entry 7107625

Structure parameters

• Common name: 8(5-(quinolin-2-yl)thiophene)-4,4-difluoro-1,3,5,7- tetramethyl-4-bora-3a,4a-diaz
• Chemical name: 8[5-(quinolin-2-yl)thiophene]-4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene
• Formula: C26 H22 B F2 N3 S
• Calculated formula: C26 H22 B F2 N3 S
• SMILES: [B]1(F)(F)[n]2c(cc(c2=C(c2c(cc(C)n12)C)c1ccc(c2ccc3ccccc3n2)s1)C)C
• Title of publication: Specific Fe (III)-induced turn off through-bond energy transfer and its application in live cell imaging
• Authors of publication: Xingyu Qu; Xiaoning Ji; Huachao Chen; Zhen Shen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4600
• a: 16.0905 ± 0.0014 Å
• b: 10.5629 ± 0.0009 Å
• c: 13.9165 ± 0.0012 Å
• α: 90°
• β: 106.691 ± 0.002°
• γ: 90°
• Cell volume: 2265.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No