Information card for entry 8101015

Structure parameters

• Formula: C17 H25 N O4 S
• Calculated formula: C17 H25 N O4 S
• SMILES: S(=O)(=O)(N[C@H]1O[C@@H](OC=C1CC)C(C)(C)C)c1ccc(cc1)C.S(=O)(=O)(N[C@@H]1O[C@H](OC=C1CC)C(C)(C)C)c1ccc(cc1)C
• Title of publication: Crystal structure of N-(2-tert-butyl-5-ethyl-4H-1,3-dioxin-4-yl)-4- methyl-benzenesulfonamide, C~17~H~25~NO~4~S
• Authors of publication: Wattenbach, Carsten; Flock, Susanne; Frauenrath, Herbert; Palme-König, Rouven; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 401 - 402
• a: 9.5315 ± 0.0007 Å
• b: 10.661 ± 0.002 Å
• c: 18.153 ± 0.002 Å
• α: 90°
• β: 93.659 ± 0.008°
• γ: 90°
• Cell volume: 1840.9 ± 0.4 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No