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Oklahoma sample 84sc25l - Reciprocal Net Log in
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Empirical formula: C19H22O5
a: 9.873 Å
b: 7.792 Å
c: 11.340 Å
α (alpha): 90.00 °
β (beta): 91.56 °
γ (gamma): 90.00 °
Volume: 872.07 Å3
Space group: P21
Calculated density: 1.258 g/cm3
Color: colorless
Z: 2
Temperature: -173.0 °C
Formula weight: 330.381 g/mole
R(F): 0.1117
Rw(F2): 0.2975
Provider's reference number: 84sc25l
Contact within provider's lab: Shengxin Cai
Crystallographer: Douglas R. Powell
Moiety formula: C19H22O5
SMILES formula: CC(=C)C(=O)OC1C\C(=C/CC\C(=C\C2OC(=O)C(=C)C12)C)C=O
Copyright notice: @ 2008 The University of Oklahoma Board of Regents. All rights reserved.
Citation of a publication: J. Nat. Prod. (2016) 79, 531-540.
Lab name: University of Oklahoma Small Molecule Crystallography Lab
Sample provider: Cichewicz
Status: Complete, visible to public
Repository Files:
84sc25l.cif 84sc25l.crt 84sc25l.fcf 84SC25L.hkl 84sc25l.lst
84sc25l.pdb 84sc25l.pdf 84SC25L.prp 84sc25l.res 84sc25l.rtf
84sc25lm.cif 84sc25lm.fcf 84sc25lm.lst 84sc25lm.pdb 84sc25lm.pdf
84sc25lm.res 84sc25lm.rtf checkcif.pdf checkcifm.pdf platon.out

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