Information card for entry 7242321

Structure parameters

• Formula: C52 H44 S
• Calculated formula: C52 H44 S
• Title of publication: Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization
• Authors of publication: Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 2654 - 2664
• a: 16.5329 ± 0.0004 Å
• b: 9.1211 ± 0.0002 Å
• c: 24.9977 ± 0.0006 Å
• α: 90°
• β: 90.694 ± 0.001°
• γ: 90°
• Cell volume: 3769.33 ± 0.15 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No