Information card for entry 2211481

Structure parameters

• Chemical name: 7-Bromo-1-methylsulfanyl-2-phenylnaphtho[2,1-b]furan
• Formula: C19 H13 Br O S
• Calculated formula: C19 H13 Br O S
• SMILES: Brc1cc2ccc3oc(c(SC)c3c2cc1)c1ccccc1
• Title of publication: 7-Bromo-1-methylsulfanyl-2-phenylnaphtho[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: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5876 - o5877
• a: 17.7 ± 0.001 Å
• b: 5.2952 ± 0.0003 Å
• c: 15.8343 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1484.07 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes