Information card for entry 1513269

Structure parameters

• Formula: C76 H144 N4 O10
• Calculated formula: C76 H113 N4 O10
• Title of publication: Combinatorial Library of Primaryalkylammonium Dicarboxylate Gelators: A Supramolecular Synthon Approach†
• Authors of publication: Sahoo, Pathik; Adarsh, N. N.; Chacko, George E.; Raghavan, Srinivasa R.; Puranik, Vedavati G.; Dastidar, Parthasarathi
• Journal of publication: Langmuir
• Year of publication: 2009
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 8742 - 8750
• a: 11.012 ± 0.002 Å
• b: 13.036 ± 0.003 Å
• c: 28.999 ± 0.006 Å
• α: 84.282 ± 0.003°
• β: 88.588 ± 0.003°
• γ: 82.56 ± 0.003°
• Cell volume: 4107 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1194
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2734
• Weighted residual factors for all reflections included in the refinement: 0.3058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No