Information card for entry 7003704

Structure parameters

• Formula: C22 H18 O2 P4 Se2
• Calculated formula: C22 H18 O2 P4 Se2
• SMILES: c12cccc3cccc(P(P1(OC)=[Se])P1c4cccc5cccc(P1(OC)=[Se])c45)c23
• Title of publication: Structure and reactivity of phosphorus-selenium heterocycles with peri-substituted naphthalene backbones
• Authors of publication: Kilian, Petr; Parveen, Sahrah; Fuller, Amy L.; Slawin, Alexandra M. Z.; Derek Woollins, J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 14
• Pages of publication: 1908 - 1916
• a: 7.0657 ± 0.0016 Å
• b: 17.803 ± 0.004 Å
• c: 17.866 ± 0.004 Å
• α: 90°
• β: 96.746 ± 0.007°
• γ: 90°
• Cell volume: 2231.8 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No