Information card for entry 7123837

Structure parameters

• Chemical name: compound 4
• Formula: C28 H16
• Calculated formula: C28 H16
• Title of publication: An Axially Chiral 1,1′-Biazulene and Its π-Extended Derivative: Synthesis, Structures and Properties
• Authors of publication: Chaolumen, Chaolumen; Ito, Hideto; Itami, Kenichiro
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.4033 ± 0.0007 Å
• b: 5.3757 ± 0.0002 Å
• c: 15.7108 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1638.74 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No