Information card for entry 4350139

Structure parameters

• Formula: C27 H23 Fe O4 P
• Calculated formula: C27 H23 Fe O4 P
• SMILES: [Fe]([P]1(c2c(c3cc(C)cc(C)c3)cccc2c2cc(C)cc(C)c12)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Facile synthesis of unsymmetrical 9-phospha- and 9-arsafluorenes.
• Authors of publication: Diaz, Armando A.; Young, Jackie D.; Khan, Masood A.; Wehmschulte, Rudolf J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5568 - 5575
• a: 7.7148 ± 0.0003 Å
• b: 10.8237 ± 0.0005 Å
• c: 14.6848 ± 0.0006 Å
• α: 80.107 ± 0.001°
• β: 81.855 ± 0.001°
• γ: 77.302 ± 0.001°
• Cell volume: 1171.53 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No