Information card for entry 4024861

Structure parameters

• Formula: C14 H14 N2 O4
• Calculated formula: C14 H14 N2 O4
• Title of publication: Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators
• Authors of publication: Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7111 - 7121
• a: 8.567 ± 0.005 Å
• b: 22.285 ± 0.012 Å
• c: 6.976 ± 0.004 Å
• α: 90°
• β: 90.694 ± 0.01°
• γ: 90°
• Cell volume: 1331.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No