Information card for entry 1505409

Structure parameters

• Formula: C17 H24 N4 O6
• Calculated formula: C17 H24 N4 O6
• SMILES: O=N(=O)c1cc(N(=O)=O)cc(c1)C(=O)NC(CC(C)C)C(=O)N(CC)CC
• Title of publication: Strong enantioselective self-recognition of a small chiral molecule.
• Authors of publication: Snyder, Seth E.; Volkers, Phillip I.; Engebretson, David A.; Lee, Wonjae; Pirkle, William H.; Carey, James R.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 2341 - 2343
• a: 20.525 ± 0.004 Å
• b: 12.332 ± 0.003 Å
• c: 32.577 ± 0.008 Å
• α: 90°
• β: 108.199 ± 0.004°
• γ: 90°
• Cell volume: 7833 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1927
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No