Information card for entry 8100489

Structure parameters

• Common name: C16H10F9N3O3S
• Formula: C16 H10 F9 N3 O3 S
• Calculated formula: C16 H10 F9 N3 O3 S
• SMILES: S(=O)(=O)(Nc1c(N=Nc2ccc(O)cc2)cccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Crystal structure of nonafluoro-{N-[(E)-2-(4-hydroxy-phenyl)diazenyl]- phenyl}-1-butanesulfonamide, C~16~H~10~F~9~N~3~O~3~S
• Authors of publication: Ziegler, Thomas; Àlvarez Micó, Xavier; Richter, Markus; Schwarz, Simon; Strähle, Joachim; Subramanian, Lakshminarayanapuram Ramaswamí
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 547 - 548
• a: 5.4635 ± 0.0002 Å
• b: 10.266 ± 0.0013 Å
• c: 17.6448 ± 0.0016 Å
• α: 105.731 ± 0.006°
• β: 93.187 ± 0.005°
• γ: 97.036 ± 0.007°
• Cell volume: 941.33 ± 0.15 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No