o-Sulfophenylfluorone

@Mar. 2006

Crystal Structure of o-Sulfophenylfluorone as a Bioquantification Probe. S. KAMINO, M. DOI, T. YAMAGUCHI, H. TOMINAGA, E. AMANO, S. UMEHARA, M. NAITO, C. YAMAZAKI, and Y. FUJITA Anal. Sci., 22, x35-x36 (2006).

X-Ray Data Summary formula C19H12O8S, 3(C2H6OS) weight 5634.73 symmetry Monoclinic space group P21/c Cell Crystal a 10.5722(6) Ang. description plate b 15.6153(9) Ang. colour red c 17.216(1) Ang. size 0.4×0.2×0.08 mm^3 α 90 deg. Dx 1.484 g/ml β 91.420(1) deg. F(000) 1328 γ 90 deg. μ 0.393 mm^-1 volume 2841.2(3) Ang^3 Radiation Mo Kα Z 4 Diffrn measurement Refinement device type Bruker, SMART APEX    Flack --- Rint 0.0187 parameters 367 T 240 K restraints 0 θmax (deg.) 27.10 R1 0.0460 total reflections 24365 wR 0.1341 reflections(obs) 5242 .gt. 2σ(I) Δρmax 0.940 e A^-3 fraction 0.997 Δρmin -0.328 e A^-3 solution SHELXS-97 Δ/σmax <0.001 refinement SHELXL-97 Goodness of fit 1.046 Get PDB coordinates

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