Information card for entry 2215489

Structure parameters

• Chemical name: 7-Bromo-2-methyl-1-(phenylsulfanyl)naphtho[2,1-b]furan
• Formula: C19 H13 Br O S
• Calculated formula: C19 H13 Br O S
• SMILES: Brc1ccc2c3c(Sc4ccccc4)c(oc3ccc2c1)C
• Title of publication: 7-Bromo-2-methyl-1-(phenylsulfanyl)naphtho[2,1-<i>b</i>]furan
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4102 - o4102
• a: 10.947 ± 0.002 Å
• b: 11.13 ± 0.002 Å
• c: 13.636 ± 0.002 Å
• α: 112.798 ± 0.002°
• β: 91.999 ± 0.003°
• γ: 90.908 ± 0.002°
• Cell volume: 1529.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes