Information card for entry 4020591

Structure parameters

• Formula: C14 H14 O2 Se2
• Calculated formula: C14 H14 O2 Se2
• SMILES: [Se]([Se]c1ccccc1CO)c1ccccc1CO
• Title of publication: o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity
• Authors of publication: Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9237 - 9247
• a: 9.946 ± 0.002 Å
• b: 10.576 ± 0.002 Å
• c: 12.964 ± 0.003 Å
• α: 90°
• β: 107.33 ± 0.03°
• γ: 90°
• Cell volume: 1301.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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