Information card for entry 4062643

Structure parameters

• Formula: C33 H33 N3 O6 S3
• Calculated formula: C33 H33 N3 O6 S3
• SMILES: S(=O)(=O)(N1CC#CCN(S(=O)(=O)c2ccc(cc2)C)CC#CCN(S(=O)(=O)c2ccc(cc2)C)CC#CC1)c1ccc(cc1)C
• Title of publication: Synthesis of Nitrogen-Containing 15-Membered Triacetylenic Macrocycles. Stable Complex with Palladium(0)
• Authors of publication: Pla-Quintana, Anna; Roglans, Anna; Torrent, Anna; Moreno-Mañas, Marcial; Benet-Buchholz, Jordi
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 23.4132 ± 0.0009 Å
• b: 6.1253 ± 0.0002 Å
• c: 24.7974 ± 0.0009 Å
• α: 90°
• β: 115.592 ± 0.001°
• γ: 90°
• Cell volume: 3207.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No