Information card for entry 7100516

Structure parameters

• Common name: Bis(chloro(pentamethylcyclopentadienyl)-(methyl-4,6-O-beta- naphthyl-2-methyliden-beta-D-glucopyranosidato)titan)
• Formula: C58 H70 Cl6 O12 Ti2
• Calculated formula: C58 H70 Cl6 O12 Ti2
• SMILES: [C@@H]1([C@H]2[C@H]([C@H]3[C@@H](CO[C@@H](c4ccc5ccccc5c4)O3)O1)O[Ti]1345([c]6([c]1([c]3([c]4([c]56C)C)C)C)C)(Cl)O[C@H]1[C@H](OC)O[C@H]3[C@H]([C@@H]1O[Ti]1456(O2)([c]2([c]1([c]4([c]5([c]62C)C)C)C)C)Cl)O[C@H](c1ccc2ccccc2c1)OC3)OC.C(Cl)Cl.C(Cl)Cl
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 14.8415 ± 0.0009 Å
• b: 25.3203 ± 0.0016 Å
• c: 8.0438 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3022.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No