Information card for entry 4100588

Structure parameters

• Formula: C13 H14 O Se
• Calculated formula: C13 H14 O Se
• SMILES: [Se](/C=C1/C(=O)C(C)(C)C1)c1ccccc1
• Authors of publication: Fujiwara, Shin-ichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.952 ± 0.0004 Å
• b: 10.9237 ± 0.0005 Å
• c: 13.4982 ± 0.0005 Å
• α: 90°
• β: 107.191 ± 0.002°
• γ: 90°
• Cell volume: 1261.01 ± 0.09 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No