Information card for entry 4113890

Structure parameters

• Formula: C90 H120 N4 O10
• Calculated formula: C90 H120 N4 O10
• Title of publication: X-ray Crystallography and Magnetic Studies of a Stable Macrocyclic Tetranitroxide. Intramolecular Dimer of Nitroxides in a Constrained Geometry of the Upper Rim of Calix[4]arene
• Authors of publication: Andrzej Rajca; Maren Pink; Teerapat Rojsajjakul; Kan Lu; Hua Wang; Suchada Rajca
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8534 - 8538
• a: 10.26 ± 0.002 Å
• b: 13.106 ± 0.004 Å
• c: 32.814 ± 0.011 Å
• α: 95.487 ± 0.009°
• β: 90.497 ± 0.015°
• γ: 100.881 ± 0.015°
• Cell volume: 4312 ± 2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1655
• Residual factor for significantly intense reflections: 0.1253
• Weighted residual factors for significantly intense reflections: 0.3164
• Weighted residual factors for all reflections included in the refinement: 0.3361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.55942 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No