Information card for entry 4061636

Structure parameters

• Formula: C21 H15 N O
• Calculated formula: C21 H15 N O
• SMILES: O=c1[nH]c2c(c(c1c1ccccc1)c1ccccc1)cccc2
• Title of publication: Synthesis and reactivity of ortho-palladated arylureas. Synthesis and catalytic activity of a C,N,C pincer complex. Stiochiometric syntheses of some N-heterocycles.
• Authors of publication: Vicente, José; Abad, José-Antonio; López, Joaquín; Jones, Peter G.; Nájera, Carmen; Botella-Segura, Luis
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 12.494 ± 0.002 Å
• b: 8.2559 ± 0.0014 Å
• c: 14.828 ± 0.003 Å
• α: 90°
• β: 93.018 ± 0.008°
• γ: 90°
• Cell volume: 1527.4 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No