Information card for entry 1506294

Structure parameters

• Common name: Cyclo-octafurans
• Formula: C88 H16 F40 O8
• Calculated formula: C88 H16 F40 O8
• SMILES: Fc1c(c(F)c(F)c(F)c1F)C1=c2oc(=C(c3oc(cc3)C(=c3oc(=C(c4oc(C(=c5oc(=C(c6c(F)c(F)c(F)c(F)c6F)c6oc(cc6)C(=c6oc(=C(c7c(F)c(F)c(F)c(F)c7F)c7oc1cc7)cc6)c1c(F)c(F)c(F)c(F)c1F)cc5)c1c(F)c(F)c(F)c(F)c1F)cc4)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)cc2
• Title of publication: Cyclic oligofurans: one-pot synthesis of 30pi and 40pi expanded porphyrinoids.
• Authors of publication: Reddy, J. Sreedhar; Mandal, Sukhendu; Anand, Venkataramanarao G.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 5541 - 5543
• a: 16.871 ± 0.005 Å
• b: 22.046 ± 0.006 Å
• c: 22.462 ± 0.006 Å
• α: 90°
• β: 103.148 ± 0.006°
• γ: 90°
• Cell volume: 8135 ± 4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No