Information card for entry 7152879

Structure parameters

• Formula: C15 H28 N4 O2
• Calculated formula: C15 H28 N4 O2
• SMILES: C1(=O)[C@H](C(C)C)N2CN(CN1C)[C@H](C(=O)N(C2)C)C(C)C
• Title of publication: Readily accessible chiral at nitrogen cage structures.
• Authors of publication: Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2198 - 2205
• a: 14.0399 ± 0.0003 Å
• b: 8.1422 ± 0.0002 Å
• c: 14.4418 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.92 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No