Information card for entry 7100368

Structure parameters

• Formula: C58 H60 N O9
• Calculated formula: C58 H60 N O9
• SMILES: C1([C@@H](C(=O)Oc2ccc3ccccc3c2c2c(O)ccc3ccccc23)[C@@H](C([N]1=O)(C)C)C(=O)Oc1ccc2ccccc2c1c1c(O)ccc2ccccc12)(C)C.O(CC)CC.O(CC)CC
• Title of publication: Synthesis of C2-Chiral Bifunctional Spin Labels and Their Application to Troponin C
• Authors of publication: S. Chatani; M. Nakamura; H. Akahane; N. Kohyama; M. Taki; T. Arata
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.098 ± 0.004 Å
• b: 14.847 ± 0.007 Å
• c: 29.42 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4847 ± 3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No