Information card for entry 7118494

Structure parameters

• Formula: C84.86 H11.14 F8.57 O3.43
• Calculated formula: C84.8571 H11.1429 F8.57143 O3.42857
• Title of publication: The synthesis and characterization of the meso-meso linked antiaromatic tetraoxa isophlorin dimer.
• Authors of publication: Reddy, Baddigam Kiran; Gadekar, Santosh C.; Anand, Venkataramanarao G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 14
• Pages of publication: 3007 - 3009
• a: 57.756 ± 0.006 Å
• b: 57.756 ± 0.006 Å
• c: 57.756 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 192660 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 203
• Hermann-Mauguin space group symbol: F d -3
• Hall space group symbol: -F 2uv 2vw 3
• Residual factor for all reflections: 0.194
• Residual factor for significantly intense reflections: 0.1296
• Weighted residual factors for significantly intense reflections: 0.3647
• Weighted residual factors for all reflections included in the refinement: 0.4364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.557
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No