Information card for entry 7101951

Structure parameters

• Chemical name: 2,8,14, Tri-n-propyl-2,8-14-triazatetracyclo[142,24,7,210,13] tetracosa-4,6,10,12,16,18,19,21,23-nonaene-3,9,15trione
• Formula: C37 H41 N3 O3
• Calculated formula: C37 H41 N3 O3
• Title of publication: Macrocyclic scaffolds derived from p-aminobenzoic acid.
• Authors of publication: Campbell, Fred; Plante, Jeffrey; Carruthers, Christopher; Hardie, Michaele J; Prior, Timothy J; Wilson, Andrew J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2240 - 2242
• a: 26.934 ± 0.003 Å
• b: 9.8762 ± 0.0012 Å
• c: 47.994 ± 0.006 Å
• α: 90°
• β: 94.712 ± 0.001°
• γ: 90°
• Cell volume: 12723 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7977 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No