Information card for entry 7003963

Structure parameters

• Formula: C29 H45 Cl11 N2
• Calculated formula: C29 H45 Cl11 N2
• Title of publication: N-Heterocyclic phosphenium cations: syntheses and cycloaddition reactions
• Authors of publication: Caputo, Christine A.; Price, Jacquelyn T.; Jennings, Michael C.; McDonald, Robert; Jones, Nathan D.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3461 - 3469
• a: 15.0405 ± 0.0006 Å
• b: 12.2573 ± 0.0003 Å
• c: 21.8456 ± 0.0009 Å
• α: 90°
• β: 90.102 ± 0.001°
• γ: 90°
• Cell volume: 4027.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No