Information card for entry 7238880

Structure parameters

• Common name: work
• Formula: C52 H68 O12
• Calculated formula: C52 H68 O12
• Title of publication: Selective derivatisation of resorcinarene ethers via an ortholithiation approach
• Authors of publication: Ngodwana, Lonwabo; Kleinhans, Dewald J.; Smuts, Anri-Jacques; van Otterlo, Willem A. L.; Arnott, Gareth E.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 3873
• a: 10.9142 ± 0.0008 Å
• b: 14.4914 ± 0.0011 Å
• c: 16.5792 ± 0.0012 Å
• α: 68.963 ± 0.001°
• β: 85.539 ± 0.001°
• γ: 79.574 ± 0.001°
• Cell volume: 2406.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No