Information card for entry 4062315

Structure parameters

• Common name: Ti-sufonamide alcoholate
• Formula: C119 H148 N4 O20 S4 Ti4
• Calculated formula: C119 H148 N4 O20 S4 Ti4
• SMILES: [Ti]245([Ti]6([O]2[C@@H]([C@@H](N5S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)c1ccccc1)([O]4[C@@H]([C@@H](N6S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1)c1ccccc1)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C.c1(ccccc1)C
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 10.7478 ± 0.0013 Å
• b: 14.1893 ± 0.0017 Å
• c: 21.333 ± 0.003 Å
• α: 94.121 ± 0.002°
• β: 97.187 ± 0.002°
• γ: 90.329 ± 0.002°
• Cell volume: 3219.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No