Information card for entry 7156620

Structure parameters

• Formula: C15 H19 N O3
• Calculated formula: C15 H19 N O3
• Title of publication: Multicomponent synthesis of pyroglutamic acid derivatives via Knoevenagel-Michael-hydrolysis-lactamization-decarboxylation (KMHL-D) sequence.
• Authors of publication: Khopade, Tushar M.; Warghude, Prakash K.; Sonawane, Amol D.; Bhat, Ramakrishna G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 561 - 566
• a: 10.3681 ± 0.0006 Å
• b: 11.3036 ± 0.0006 Å
• c: 13.4537 ± 0.0008 Å
• α: 90°
• β: 111.487 ± 0.004°
• γ: 90°
• Cell volume: 1467.15 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No