Information card for entry 4020253

Structure parameters

• Formula: C21 H26 N2 O2 S2
• Calculated formula: C21 H26 N2 O2 S2
• SMILES: C(=O)(C[C@H]1CCC(=O)N1C/C=C/c1ccccc1)N1C(=S)SC[C@@H]1C(C)C
• Authors of publication: Efraín Barragán; Horacio F. Olivo; Moisés Romero-Ortega; Seth Sarduy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4214 - 4217
• a: 11.2195 ± 0.0011 Å
• b: 7.181 ± 0.0007 Å
• c: 12.868 ± 0.0013 Å
• α: 90°
• β: 92.559 ± 0.005°
• γ: 90°
• Cell volume: 1035.71 ± 0.18 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No