Information card for entry 4518837

Structure parameters

• Formula: C34 H22
• Calculated formula: C34 H22
• Title of publication: Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.
• Authors of publication: Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2021
• a: 10.759 ± 0.003 Å
• b: 17.616 ± 0.004 Å
• c: 23.624 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4477 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.1487
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No