Information card for entry 4024864

Structure parameters

• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• 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: 13.327 ± 0.003 Å
• b: 6.6298 ± 0.0014 Å
• c: 15.688 ± 0.003 Å
• α: 90°
• β: 100.725 ± 0.002°
• γ: 90°
• Cell volume: 1361.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No