Information card for entry 2003387

Structure parameters

• Chemical name: spiro-[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,1'-cyclopentane]
• Formula: C13 H12 S2
• Calculated formula: C13 H12 S2
• SMILES: C1CCC2(C1)c1ccsc1c1c2ccs1
• Title of publication: Five 3,3'-Bridged 2,2'-Dithiophenes
• Authors of publication: Pilati, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 690 - 697
• a: 21.792 ± 0.004 Å
• b: 21.792 ± 0.004 Å
• c: 12.566 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5168 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P -3
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 1.654
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No