Information card for entry 7109012

Structure parameters

• Formula: C20 H26 O2 P2 Se4
• Calculated formula: C20 H26 O2 P2 Se4
• SMILES: c1(ccccc1)[P@]1([Se]CCCCO[P@](c2ccccc2)([Se]CCCCO1)=[Se])=[Se]
• Title of publication: An efficient route for the synthesis of phosphorus-selenium macro-heterocycles
• Authors of publication: Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2619
• a: 22.92 ± 0.012 Å
• b: 9.231 ± 0.003 Å
• c: 15.919 ± 0.009 Å
• α: 90°
• β: 133.807 ± 0.007°
• γ: 90°
• Cell volume: 2431 ± 2 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: 0.0559
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No