Information card for entry 7152222

Structure parameters

• Formula: C30 H36 N2
• Calculated formula: C30 H36 N2
• SMILES: n1(c2c(cccc2)c2c1c1n(c3ccccc3c1cc2)CCCCCC)CCCCCC
• Title of publication: Combined study of anion recognition by a carbazole-based neutral tripodal receptor in a competitive environment.
• Authors of publication: Curiel, David; Sánchez, Guzmán; Ramírez de Arellano, Carmen; Tárraga, Alberto; Molina, Pedro
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1896 - 1904
• a: 8.1332 ± 0.001 Å
• b: 12.8039 ± 0.0015 Å
• c: 23.181 ± 0.003 Å
• α: 86.488 ± 0.002°
• β: 85.393 ± 0.002°
• γ: 84.635 ± 0.002°
• Cell volume: 2392.1 ± 0.5 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: 0.1367
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No