Information card for entry 4020592

Structure parameters

• Formula: C7 H6 O2 Se
• Calculated formula: C7 H6 O2 Se
• SMILES: [Se]1(OCc2c1cccc2)=O
• 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: 6.4768 ± 0.0006 Å
• b: 15.168 ± 0.002 Å
• c: 13.6745 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1343.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No