Information card for entry 7242322

Structure parameters

• Formula: C76 H92 S
• Calculated formula: C75.608 H91.16 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: 5.6172 ± 0.0004 Å
• b: 56.654 ± 0.004 Å
• c: 19.3396 ± 0.0013 Å
• α: 90°
• β: 91.715 ± 0.002°
• γ: 90°
• Cell volume: 6151.8 ± 0.7 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1874
• Residual factor for significantly intense reflections: 0.1573
• Weighted residual factors for significantly intense reflections: 0.4883
• Weighted residual factors for all reflections included in the refinement: 0.5528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No