Information card for entry 7151102

Structure parameters

• Formula: C94.69 H126.1 N8.65 O13.38
• Calculated formula: C94.69 H126.106 N8.655 O13.38
• Title of publication: Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds.
• Authors of publication: Szumna, Agnieszka
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1358 - 1368
• a: 23.3843 ± 0.0006 Å
• b: 23.3843 ± 0.0006 Å
• c: 8.2561 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4514.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No