Information card for entry 1545209

Structure parameters

• Formula: C13 H25 N5 O
• Calculated formula: C13 H25 N5 O
• SMILES: O1CCNC(c2n(nnn2)C(CC(C)(C)C)(C)C)C1
• 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: 7.8022 ± 0.001 Å
• b: 9.7161 ± 0.0012 Å
• c: 10.898 ± 0.0013 Å
• α: 72.849 ± 0.011°
• β: 74.617 ± 0.011°
• γ: 74.654 ± 0.011°
• Cell volume: 745.38 ± 0.17 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No