Information card for entry 8101791

Structure parameters

• Chemical name: bis(tert-butyl) 2-(tert-butylamino)-5-acetyl-6-methyl-4H-pyran-3,4-dicarboxylate
• Formula: C22 H35 N O6
• Calculated formula: C22 H35 N O6
• SMILES: N(C1=C(C(C(=C(O1)C)C(=O)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(C)(C)C
• Title of publication: Crystal structure of bis(tert-butyl) 2-(tert-butylamino)-5-acetyl- 6-methyl-4H-pyran-3,4-dicarboxylate, C~22~H~35~NO~6~
• Authors of publication: Zonouzi, A.; Rahmani, H.; Kazemi, D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 367 - 368
• a: 21.727 ± 0.004 Å
• b: 10.954 ± 0.002 Å
• c: 22.073 ± 0.004 Å
• α: 90°
• β: 116.609 ± 0.004°
• γ: 90°
• Cell volume: 4696.9 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No