Information card for entry 2021429

Structure parameters

• Chemical name: 6-Phenyl-6,7-dihydro-5<i>H</i>-2,3-dioxa-2aλ^4^-selenacyclopenta[<i>hi</i>]\ indene
• Formula: C14 H12 O2 Se
• Calculated formula: C14 H12 O2 Se
• Title of publication: Hypervalent organoselenium compounds stabilized by intramolecular coordination: synthesis and crystal structures
• Authors of publication: Venkateshwaran, Krishnan; Deka, Rajesh; Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• a: 8.8185 ± 0.0004 Å
• b: 17.4773 ± 0.0007 Å
• c: 7.9793 ± 0.0004 Å
• α: 90°
• β: 108.328 ± 0.005°
• γ: 90°
• Cell volume: 1167.41 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes