Information card for entry 7043533

Structure parameters

• Formula: C52 H55 O5 P
• Calculated formula: C52 H55 O5 P
• Title of publication: Calix[4]arene-fused phospholes
• Authors of publication: Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 38.0572 ± 0.0004 Å
• b: 38.0572 ± 0.0004 Å
• c: 38.0572 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 55120.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No