Information card for entry 7132965

Structure parameters

• Formula: C34 H33 N O2
• Calculated formula: C34 H33 N O2
• SMILES: c1(ccccc1)c1n(c2c(c1C(c1c(cc(cc1C)C)C)CCC(=O)Oc1ccccc1)cccc2)C
• Title of publication: A two carbon homologation of Friedel-Crafts alkylation enabled by photochemical alkene stitching: modular assembly of cyclolignans.
• Authors of publication: Pramanik, Shyamal; Samanta, Apurba; Maity, Soumitra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 40
• Pages of publication: 5282 - 5285
• a: 21.901 ± 0.0016 Å
• b: 11.9356 ± 0.0011 Å
• c: 10.1958 ± 0.0008 Å
• α: 90°
• β: 95.864 ± 0.007°
• γ: 90°
• Cell volume: 2651.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1098
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No