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Empirical formula: C34.5H47.5N12.5O8.5S3
a: 7.444 Å
b: 14.404 Å
c: 20.128 Å
α (alpha): 102.10 °
β (beta): 97.67 °
γ (gamma): 99.22 °
Volume: 2051.54 Å3
Space group: P-1
Calculated density: 1.408 g/cm3
Color: yellow
Z: 2
Temperature: -173.0 °C
Formula weight: 869.534 g/mole
R(F): 0.0904
Rw(F2): 0.2279
Provider's reference number: m-NO2-THU+HI
Crystallographer: Douglas R. Powell
Moiety formula: C27H30N11O8S3, 2.5(C3H7NO)
Copyright notice: @ 2008 The University of Oklahoma Board of Regents. All rights reserved.
Citation of a publication: ACS Omega, 2017, 2, 9057-9066.
Lab name: University of Oklahoma Small Molecule Crystallography Lab
Sample provider: Hossain-JSU
Status: Complete, visible to public
Repository Files:
12079._ls 12079.abs 12079.cif 12079.crt 12079.fcf
12079.hkl 12079.ins 12079.lst 12079.p4p 12079.pdb
12079.pdf 12079.prp 12079.res 12079.rtf 12079m._ls
12079m.abs 12079m.cif 12079m.hkl 12079m.lst 12079m.p4p
12079m.pdb 12079m.pdf 12079m.prp 12079m.res 12079m.rtf
checkcif.pdf checkcifm.pdf

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