Information card for entry 4330085

Structure parameters

• Formula: C38 H42 N10 O2
• Calculated formula: C38 H42 N10 O2
• Title of publication: Synthesis and X-ray Structures of Novel Macrocycles and Macrobicycles Containing N,N-Di(pyrrolylmethyl)-N-methylamine Moiety: Preliminary Anion Binding Study
• Authors of publication: Rajnish Kumar; Tapas Guchhait; Ganesan Mani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9029 - 9038
• a: 5.2425 ± 0.0012 Å
• b: 11.614 ± 0.003 Å
• c: 15.391 ± 0.004 Å
• α: 105.366 ± 0.008°
• β: 97.274 ± 0.008°
• γ: 101.051 ± 0.008°
• Cell volume: 871.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No