Information card for entry 8000473

Structure parameters

• Common name: compound 3
• Chemical name: 7,12-dicyano-3,16-dimethoxyheptahelicene
• Formula: C34 H20 N2 O2
• Calculated formula: C34 H20 N2 O2
• Title of publication: Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence.
• Authors of publication: Kubo, Hiromu; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Hasegawa, Jun-Ya; Matsuda, Kenji
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 686 - 695
• a: 13.7963 ± 0.0005 Å
• b: 12.6757 ± 0.0004 Å
• c: 13.3735 ± 0.0005 Å
• α: 90°
• β: 98.305 ± 0.0012°
• γ: 90°
• Cell volume: 2314.2 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No