Information card for entry 7242320

Structure parameters

• Chemical name: 2,5-bis(4-((2,7-dioctyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene
• Formula: C76 H92 S
• Calculated formula: C76 H92 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: 5.5891 ± 0.0011 Å
• b: 56.499 ± 0.012 Å
• c: 19.86 ± 0.004 Å
• α: 90°
• β: 91.756 ± 0.005°
• γ: 90°
• Cell volume: 6268 ± 2 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 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: 0.1536
• Residual factor for significantly intense reflections: 0.1155
• Weighted residual factors for significantly intense reflections: 0.3063
• Weighted residual factors for all reflections included in the refinement: 0.3391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No