Information card for entry 7217279

Structure parameters

• Formula: C23 H24 O2 Se
• Calculated formula: C23 H24 O2 Se
• SMILES: c1(ccccc1)c1c2CC(COC)(COC)Cc2c(c2ccccc2)[se]1
• Title of publication: Phenyl-capped cyclopenta[c]chalcogenophenes: synthesis, crystal structures, electrochemistry and theoretical insights
• Authors of publication: Zade, Sanjio S.; Bedi, Anjan; Debnath, Sashi; Chandak, Hemant S.
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 34.8342 ± 0.0019 Å
• b: 5.7765 ± 0.0003 Å
• c: 22.9523 ± 0.0012 Å
• α: 90°
• β: 123.607 ± 0.001°
• γ: 90°
• Cell volume: 3846.5 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No