Information card for entry 4508114

Structure parameters

• Formula: C20 H26 N2 O6
• Calculated formula: C20 H26 N2 O6
• Title of publication: β-Amino Acid and Amino-Alcohol Conjugation of a Nonsteroidal Anti-Inflammatory Drug (NSAID) Imparts Hydrogelation Displaying Remarkable Biostability, Biocompatibility, and Anti-Inflammatory Properties.
• Authors of publication: Majumder, Joydeb; Das, Mahua Rani; Deb, Jolly; Jana, Siddhartha Sankar; Dastidar, Parthasarathi
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 32
• Pages of publication: 10254 - 10263
• a: 6.564 ± 0.0014 Å
• b: 8.4072 ± 0.0017 Å
• c: 18.343 ± 0.004 Å
• α: 101.06 ± 0.006°
• β: 94.93 ± 0.006°
• γ: 98.137 ± 0.006°
• Cell volume: 976.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No