Information card for entry 4514034

Structure parameters

• Formula: C16 H30 N6 O4
• Calculated formula: C16 H30 N6 O4
• SMILES: O(C(=O)NNC(c1n(nnn1)C(C(=O)OC)CC(C)C)(C)C)C(C)(C)C
• Title of publication: Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.
• Authors of publication: Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander
• Journal of publication: ACS combinatorial science
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 193 - 198
• a: 22.7944 ± 0.0008 Å
• b: 7.5374 ± 0.0002 Å
• c: 12.1001 ± 0.0004 Å
• α: 90°
• β: 102.072 ± 0.004°
• γ: 90°
• Cell volume: 2032.95 ± 0.12 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 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: 0.0585
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No