Information card for entry 7205657

Structure parameters

• Formula: C36 H25 N5 O13
• Calculated formula: C36 H25 N5 O13
• Title of publication: Solid-state structural studies of oxacalix[2]arene[2]naphthalene as a molecular tweezer
• Authors of publication: Kleyn, Anneli; Jacobs, Tia; Barbour, Leonard J.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3175
• a: 11.918 ± 0.003 Å
• b: 21.169 ± 0.005 Å
• c: 13.55 ± 0.003 Å
• α: 90°
• β: 110.775 ± 0.002°
• γ: 90°
• Cell volume: 3196.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No