Information card for entry 7122330

Structure parameters

• Formula: C34 H40 N2 O6
• Calculated formula: C34 H40 N2 O6
• Title of publication: Ultrasound-induced gelation of a giant macrocycle.
• Authors of publication: Núñez-Villanueva, Diego; Jinks, Michael A.; Gómez Magenti, Jorge; Hunter, Christopher A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 77
• Pages of publication: 10874 - 10877
• a: 7.4062 ± 0.0002 Å
• b: 15.555 ± 0.0005 Å
• c: 27.3276 ± 0.0009 Å
• α: 90°
• β: 96.466 ± 0.002°
• γ: 90°
• Cell volume: 3128.21 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No