Information card for entry 8100128

Structure parameters

• Formula: C19 H24 N2 O6
• Calculated formula: C19 H24 N2 O6
• SMILES: O1[C@H](O[C@H](OC(=O)C)[C@@](NN2C(=O)c3ccccc3C2=O)(C1)C)C(C)(C)C.O1[C@@H](O[C@@H](OC(=O)C)[C@](NN2C(=O)c3ccccc3C2=O)(C1)C)C(C)(C)C
• Title of publication: Crystal structure of 4-acetoxy-5-(amino-N-phthalimido)-2-tert-butyl- 5-methyl-1,3-dioxane, C~19~H~24~N~2~O~6~
• Authors of publication: Flock, Susanne; Sippel, Heike; Frauenrath, Herbert; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 283 - 284
• a: 5.922 ± 0.001 Å
• b: 8.336 ± 0.001 Å
• c: 19.864 ± 0.002 Å
• α: 95.81 ± 0.01°
• β: 96.6 ± 0.02°
• γ: 100.1 ± 0.01°
• Cell volume: 951.6 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No