Information card for entry 4020358

Structure parameters

• Formula: C26 H36 N2 O2 S2
• Calculated formula: C26 H36 N2 O2 S2
• SMILES: O1C[C@@H](N=C1c1c(sc(c1c1c(sc(c1C1=N[C@H](CO1)C(C)(C)C)C)C)C)C)C(C)(C)C
• Title of publication: Steric and Electronic Tuning of Chiral Bis(oxazoline) Ligands with 3,3'-Bithiophene Backbone
• Authors of publication: Maurizio Benaglia; Tiziana Benincori; Patrizia Mussini; Tullio Pilati; Simona Rizzo; Franco Sannicolò
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7488 - 7495
• a: 9.4604 ± 0.0015 Å
• b: 9.2409 ± 0.0015 Å
• c: 14.71 ± 0.002 Å
• α: 90°
• β: 95.02 ± 0.02°
• γ: 90°
• Cell volume: 1281.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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