Information card for entry 7100515

Structure parameters

• Common name: Bis(chloro(pentamethylcyclopentadienyl)-(methyl-4,6-O-beta- naphthyl-2-methyliden-beta-D-glucopyranosidato)titan)
• Formula: C55 H70 Cl2 O12 Ti2
• Calculated formula: C55 H70 Cl2 O12 Ti2
• SMILES: [Ti]123456([Ti]789%10(Cl)(O[C@@H]%11[C@@H](O1)[C@H](OC)O[C@H]1[C@H]%11O[C@@H](OC1)c1ccccc1)(O[C@H]1[C@H](OC)O[C@H]%11[C@@H](O[C@@H](OC%11)c%11ccccc%11)[C@@H]1O2)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(Cl)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.c1(ccccc1)C
• Title of publication: Sugar Ligands in Organotitanium Complexes
• Authors of publication: J. Heck; D. Kuentzer; L. Jessen
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 8.203 ± 0.007 Å
• b: 21.613 ± 0.017 Å
• c: 30.49 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5406 ± 8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No