Information card for entry 4020784

Structure parameters

• Common name: sm08
• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 N2 O2
• SMILES: Oc1c(cccc1)C1=NCCN=C1c1ccccc1O
• 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: 5.86 ± 0.0007 Å
• b: 8.4944 ± 0.001 Å
• c: 13.4511 ± 0.0017 Å
• α: 101.721 ± 0.002°
• β: 98.011 ± 0.002°
• γ: 99.562 ± 0.002°
• Cell volume: 636.01 ± 0.13 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