Information card for entry 8100205

Structure parameters

• Formula: C20 H17 N O4 S
• Calculated formula: C20 H17 N O4 S
• SMILES: [C@H]1([C@H]([C@@]1(C#N)S(=O)(=O)c1ccccc1)\C=C/C(=O)OC)c1ccccc1.[C@@H]1([C@@H]([C@]1(C#N)S(=O)(=O)c1ccccc1)\C=C/C(=O)OC)c1ccccc1
• Title of publication: Crystal structure of 3-cyano-3-phenylsulfonyl-2-methoxycarbonylethene- 1-phenylcyclopropane, C~20~H~17~NO~4~S
• Authors of publication: Itoh, Kuniaki; Iwata, Shine
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 455 - 456
• a: 17.354 ± 0.004 Å
• b: 8.8651 ± 0.0018 Å
• c: 24.388 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3752.1 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No