Information card for entry 7118493

Structure parameters

• Formula: C98 H14 F10 O4
• Calculated formula: C98 H14 F10 O4
• SMILES: c1(c(c(c(c(c1F)C1=c2ccc(=C(c3ccc(C(=c4ccc(=Cc5ccc1o5)o4)c1c(c(c(c(c1F)F)F)F)F)o3)c1ccccc1)o2)F)F)F)F.c12c3c4c5c6c2c2c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c3c3c%17c%18c%19c%20c%21c%22c%18c3c%16c%14c%22c3c%13c%13c%14c%16c%18c%22c%23c(c%19c(c4%17)c5c%23c(c%22c8c%16c9c%12%13)c67)c%20c%18c%14c%213)c1c(c%11%15)c2%10
• 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: 35.203 ± 0.006 Å
• b: 55.389 ± 0.009 Å
• c: 12.2274 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23842 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No