Information card for entry 4100849

Structure parameters

• Formula: C38 H53 P Si2 Ti
• Calculated formula: C38 H53 P Si2 Ti
• SMILES: [Ti]123456789([P](C)(C)C)([CH]%10[C@H]%11C[C@@H](C[CH]3([CH]2=C1%10)[C]5([Si](C)(C)C)=[C]4%11c1ccccc1)/C(=C/[Si](C)(C)C)c1ccccc1)[cH]1[cH]6[cH]7[cH]8[cH]91.[Ti]123456789([P](C)(C)C)([CH]%10[C@@H]%11C[C@H](C[CH]3([CH]2=C1%10)[C]5([Si](C)(C)C)=[C]4%11c1ccccc1)/C(=C/[Si](C)(C)C)c1ccccc1)[cH]1[cH]6[cH]7[cH]8[cH]91
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.1012 ± 0.0003 Å
• b: 8.5576 ± 0.0001 Å
• c: 38.4579 ± 0.0011 Å
• α: 90°
• β: 97.6502 ± 0.001°
• γ: 90°
• Cell volume: 3620.97 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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