Information card for entry 2009240

Structure parameters

• Chemical name: 1-tert-butoxycarbonyl-7,9-dibenzyl-2-oxo-1,7,9-triazaspiro[4,5]dec-3-ene
• Formula: C26 H31 N3 O3
• Calculated formula: C26 H31 N3 O3
• SMILES: O=C(N1C(=O)C=CC21CN(CN(C2)Cc1ccccc1)Cc1ccccc1)OC(C)(C)C
• Title of publication: Mirror symmetry in 7,9-dibenzyl-1-<i>tert</i>-butoxycarbonyl-1,7,9-triazaspiro[4.5]dec-3-en-2-one
• Authors of publication: Dong, Yongkwan; Yun, Hoseop; Suh, Jang-Min; Ahn, Young-Gil; Ha, Hyun-Joon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2088 - 2090
• a: 16.482 ± 0.005 Å
• b: 14.258 ± 0.005 Å
• c: 9.838 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2311.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes