Information card for entry 4020785

Structure parameters

• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: Oc1c(c2nc3c(nc2c2c(O)cccc2)cccc3)cccc1
• Title of publication: Cyanide-Catalyzed Cyclizations via Aldimine Coupling
• Authors of publication: B. Jesse E. Reich; Aaron K. Justice; Brittany T. Beckstead; Joseph H. Reibenspies; Stephen A. Miller
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1357 - 1359
• a: 5.943 ± 0.0009 Å
• b: 8.6856 ± 0.0013 Å
• c: 14.988 ± 0.002 Å
• α: 74.255 ± 0.002°
• β: 81.05 ± 0.002°
• γ: 83.614 ± 0.002°
• Cell volume: 733.64 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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