Information card for entry 1503165

Structure parameters

• Formula: C32 H48 N6 O4 S
• Calculated formula: C32 H48 N6 O4 S
• Title of publication: Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.
• Authors of publication: Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 3910 - 3913
• a: 17.106 ± 0.004 Å
• b: 16.317 ± 0.004 Å
• c: 11.461 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3199 ± 1.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No