Information card for entry 7058199

Structure parameters

• Formula: C10.5 H8 Cl O
• Calculated formula: C10.5 H8 Cl O
• Title of publication: SiCl4 mediated one-pot synthesis of novel spirobibenzopyrans as potent anticancer agents
• Authors of publication: Kar, Swayamsiddha; Shivalingegowda, Naveen; Krishnappagowda, Lokanath Neratur; Golakoti, Nageswara Rao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4669
• a: 11.1071 ± 0.0006 Å
• b: 8.2385 ± 0.0004 Å
• c: 19.1755 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1754.67 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No