Information card for entry 7118492

Structure parameters

• Formula: C18 H12 O4
• Calculated formula: C18 H12 O4
• SMILES: o1c(C(=C(c2occc2)c2occc2)c2occc2)ccc1
• 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: 21.876 ± 0.003 Å
• b: 22.174 ± 0.003 Å
• c: 15.3753 ± 0.0018 Å
• α: 90°
• β: 130.23 ± 0.004°
• γ: 90°
• Cell volume: 5694 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No