Information card for entry 4101189

Structure parameters

• Formula: C27 H26 Cl N O4
• Calculated formula: C27 H26 Cl N O4
• SMILES: ClCC1(N(=O)=C2C(c3c(OC)cccc3C2)(C1)c1cccc(OC)c1)c1cccc(OC)c1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 13.135 ± 0.003 Å
• b: 17.211 ± 0.003 Å
• c: 20.129 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4550.6 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No