Information card for entry 1547238

Structure parameters

• Formula: C29 H16 S2
• Calculated formula: C29 H16 S2
• SMILES: s1c2c3c(C4(c2c2c1cccc2)c1ccccc1c1sc2c(c41)cccc2)cccc3
• Title of publication: Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives.
• Authors of publication: Takase, Ko; Noguchi, Keiichi; Nakano, Koji
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5082 - 5085
• a: 15.2176 ± 0.0005 Å
• b: 8.3864 ± 0.0003 Å
• c: 32.8506 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4192.4 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No