Information card for entry 4062549

Structure parameters

• Formula: C21 H25 N
• Calculated formula: C21 H25 N
• SMILES: N(=C\C=C\c1ccccc1)/c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Structure of the First Homoleptic 1-Aza-1,3-diene Titanium Complex: A Tightrope Walk between Ligand Coordination and Ligand Coupling
• Authors of publication: Scholz, Joachim; Kahlert, Steffen; Görls, Helmar
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 1594 - 1603
• a: 17.656 ± 0.002 Å
• b: 7.729 ± 0.0001 Å
• c: 26.88 ± 0.005 Å
• α: 90°
• β: 98.733 ± 0.009°
• γ: 90°
• Cell volume: 3625 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• 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