Information card for entry 4062542

Structure parameters

• Formula: C43 H37 Br O Ti
• Calculated formula: C43 H37 Br O Ti
• SMILES: Brc1c(c(c(O[Ti]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(C)C)c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Formation of Neutral and Cationic Methyl Derivatives of Titanium Containing Cyclopentadienyl and Aryloxide Ancillary Ligation
• Authors of publication: Fenwick, Andrew E.; Phomphrai, Khamphee; Thorn, Matthew G.; Vilardo, Jonathan S.; Trefun, Christine A.; Hanna, Brigitte; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 9
• Pages of publication: 2146 - 2156
• a: 10.6104 ± 0.0002 Å
• b: 20.5655 ± 0.0006 Å
• c: 16.5745 ± 0.0005 Å
• α: 90°
• β: 106.168 ± 0.0017°
• γ: 90°
• Cell volume: 3473.65 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No