Information card for entry 4100851

Structure parameters

• Formula: C16 H20 W
• Calculated formula: C16 H20 W
• SMILES: [W]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
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.7526 ± 0.0003 Å
• b: 11.092 ± 0.0004 Å
• c: 12.3529 ± 0.0004 Å
• α: 90°
• β: 92.3555 ± 0.0019°
• γ: 90°
• Cell volume: 1335.16 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No