Information card for entry 4062544

Structure parameters

• Formula: C19 H28 O Ti
• Calculated formula: C19 H28 O Ti
• SMILES: [Ti]1234(Oc5c(cccc5C(C)C)C(C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)(C)C
• 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: 7.4673 ± 0.0008 Å
• b: 16.0852 ± 0.001 Å
• c: 15.2369 ± 0.0013 Å
• α: 90°
• β: 93.036 ± 0.006°
• γ: 90°
• Cell volume: 1827.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No