Information card for entry 4020439

Structure parameters

• Formula: C31 H20 Cl4 N2 O5
• Calculated formula: C31 H20 Cl4 N2 O5
• SMILES: c12c(cc3c4c1c(c(cc4C(=O)N(C3=O)CCO)Cl)c1c3c2c(cc2c3c(cc1Cl)C(=O)N(C2=O)CCCCC)Cl)Cl
• Authors of publication: Stéphanie Leroy-Lhez; Jérôme Baffreau; Lara Perrin; Eric Levillain; Magali Allain; María-Jesús Blesa; Piétrick Hudhomme
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6313 - 6320
• a: 12.859 ± 0.001 Å
• b: 14.567 ± 0.002 Å
• c: 14.729 ± 0.002 Å
• α: 90°
• β: 92.67 ± 0.01°
• γ: 90°
• Cell volume: 2756 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No