Information card for entry 4061993

Structure parameters

• Formula: C32 H36 Li O2 P
• Calculated formula: C32 H36 Li O2 P
• SMILES: [p]12([c]3([c]4([cH]5[cH]6[c]1(c1ccccc1)[Li]23456([O]1CCCC1)[O]1CCCC1)c1ccccc1)c1ccccc1)C
• Title of publication: First X-Ray Crystal Study and DFT Calculations of Anionic λ^4-Phosphinines
• Authors of publication: Moores, Audrey; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 1960
• a: 17.13 ± 0.001 Å
• b: 13.084 ± 0.001 Å
• c: 12.611 ± 0.001 Å
• α: 90°
• β: 105.464 ± 0.001°
• γ: 90°
• Cell volume: 2724.2 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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