Information card for entry 1554723

Structure parameters

• Formula: C29 H28 O2
• Calculated formula: C29 H28 O2
• SMILES: o1c2c(c(c1C)C(=O)C)c(c1ccccc1)c1c3c(Cc1c2CCCCC)cccc3
• Title of publication: Enynone-enabled migratory insertion and Schmittel cyclization cascade for the synthesis of furan-fused fluorenes
• Authors of publication: Zhang, He; Cao, Tongxiang; Luo, Hejiang; Chen, Lianfen; Zhu, Shifa
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1118
• a: 10.2239 ± 0.0005 Å
• b: 11.009 ± 0.0006 Å
• c: 11.0538 ± 0.0006 Å
• α: 73.729 ± 0.005°
• β: 86.05 ± 0.005°
• γ: 65.798 ± 0.005°
• Cell volume: 1087.85 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No