Information card for entry 1555655

Structure parameters

• Formula: C36 H18
• Calculated formula: C36 H18
• SMILES: c12c3c4c5c1c1ccc2ccc3ccc4ccc5c2c1c1c3c4ccccc4ccc3ccc1cc2
• Title of publication: Corannulene-Helicene Hybrids: Chiral π-Systems Comprising Both Bowl and Helical Motifs.
• Authors of publication: Fujikawa, Takao; Preda, Dorin V.; Segawa, Yasutomo; Itami, Kenichiro; Scott, Lawrence T.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3992 - 3995
• a: 28.619 ± 0.003 Å
• b: 13.5049 ± 0.0014 Å
• c: 11.3279 ± 0.0011 Å
• α: 90°
• β: 101.05 ± 0.002°
• γ: 90°
• Cell volume: 4297 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No