Information card for entry 4062241

Structure parameters

• Common name: Ph~2~C(H)CN
• Formula: C14 H11 N
• Calculated formula: C14 H11 N
• SMILES: N#CC(c1ccccc1)c1ccccc1
• Title of publication: Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles
• Authors of publication: Iravani, Effat; Neumüller, Bernhard
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 4129 - 4135
• a: 10.72 ± 0.002 Å
• b: 6.297 ± 0.001 Å
• c: 16.385 ± 0.002 Å
• α: 90°
• β: 107.28 ± 0.01°
• γ: 90°
• Cell volume: 1056.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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