Information card for entry 7109011

Structure parameters

• Formula: C20 H26 O2 P2 Se4
• Calculated formula: C20 H26 O2 P2 Se4
• SMILES: [Se]1[P@@](=[Se])(OCCCC[Se][P@@](=[Se])(OCCCC1)c1ccccc1)c1ccccc1.[Se]1[P@](=[Se])(OCCCC[Se][P@](=[Se])(OCCCC1)c1ccccc1)c1ccccc1
• 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: 9.013 ± 0.002 Å
• b: 14.311 ± 0.003 Å
• c: 19.453 ± 0.005 Å
• α: 90°
• β: 98.027 ± 0.008°
• γ: 90°
• Cell volume: 2484.6 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No