Information card for entry 7100059

Structure parameters

• Formula: C23 H22 N4 O
• Calculated formula: C23 H22 N4 O
• SMILES: Cc1c(c(c(C(=O)NCc2nccn2C)[nH]1)c1ccccc1)c1ccccc1
• Title of publication: Co-transport of H+/Cl- by a synthetic prodigiosin mimic
• Authors of publication: Philip Gale; Mark E. Light; Beth A. McNally; Korakot Navakhun; Kate E. Sliwinski; Bradley Smith
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 7.3267 ± 0.0002 Å
• b: 10.4025 ± 0.0003 Å
• c: 13.6141 ± 0.0004 Å
• α: 82.523 ± 0.002°
• β: 76.069 ± 0.002°
• γ: 82.898 ± 0.002°
• Cell volume: 993.93 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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