Information card for entry 7100461

Structure parameters

• Formula: C35 H45 Cl2 N7 O6
• Calculated formula: C35 H45 Cl2 N7 O6
• SMILES: N1(c2cc(c(cc2N=C2C(=O)NC(=O)N=C12)C)C)CCCCCCOC(=O)CCCC(=O)Nc1cccc(n1)NC(=O)CC(C)(C)C.C(Cl)Cl
• Title of publication: Model systems for flavoenzyme activity: anelectrochemically tuneable intramolecularly hydrogen bonded flavin-diamidopyridine complex
• Authors of publication: Graeme Cooke; Alan S. F. Boyd; Josepth B. Carroll; James F Garety; B.J.Jordan; Suhil Mabruk; Georgina Rosair; V.M. Rotello
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.1226 ± 0.0012 Å
• b: 13.64 ± 0.002 Å
• c: 15.435 ± 0.002 Å
• α: 71.272 ± 0.004°
• β: 76.201 ± 0.006°
• γ: 81.735 ± 0.004°
• Cell volume: 1761.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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