Information card for entry 1545210

Structure parameters

• Formula: C14 H19 N5 O3 S
• Calculated formula: C14 H19 N5 O3 S
• Title of publication: De Novo Assembly of Highly Substituted Morpholines and Piperazines.
• Authors of publication: Patil, Pravin; Madhavachary, Rudrakshula; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 642 - 645
• a: 14.5899 ± 0.0006 Å
• b: 10.9383 ± 0.0003 Å
• c: 21.1354 ± 0.0011 Å
• α: 90°
• β: 108.045 ± 0.005°
• γ: 90°
• Cell volume: 3207.1 ± 0.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No