Information card for entry 1513268

Structure parameters

• Formula: C38 H74 N2 O5
• Calculated formula: C38 H74 N2 O5
• 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: 9.3702 ± 0.0004 Å
• b: 9.6182 ± 0.0004 Å
• c: 23.4102 ± 0.001 Å
• α: 80.173 ± 0.002°
• β: 83.684 ± 0.002°
• γ: 69.123 ± 0.002°
• Cell volume: 1939.62 ± 0.14 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: 0.0737
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No