Information card for entry 4100850

Structure parameters

• Formula: C17 H22 Mo
• Calculated formula: C17 H22 Mo
• SMILES: [Mo]123456789([cH]%10[cH]1[cH]2[cH]3[cH]4%10)([cH]1[cH]8[cH]7[cH]6[cH]51)CC(C9)CC(=C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.018 ± 0.0001 Å
• b: 12.2151 ± 0.0004 Å
• c: 19.3869 ± 0.0006 Å
• α: 90°
• β: 92.6584 ± 0.0018°
• γ: 90°
• Cell volume: 1423.61 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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