Information card for entry 4026992

Structure parameters

• Formula: C34 H25 N O
• Calculated formula: C34 H25 N O
• SMILES: c1cc(ccc1c1cc2c3ccc(cc3C(c2c(c1)c1ccccc1)c1ccc(cc1)OC)C)C#N
• Title of publication: Bi(III)-Catalyzed Intermolecular Reactions of (Z)-Pent-2-en-4-yl Acetates with Ethynylarenes for the Construction of Multisubstituted Fluorene Skeletons through a Cascade Electrophilic Addition/Cycloisomerization Sequence
• Authors of publication: Xiang-Chuan Wang; Ru-Long Yan; Mei-Jin Zhong; Yong-Min Liang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2064 - 2068
• a: 11.739 ± 0.008 Å
• b: 15.319 ± 0.01 Å
• c: 28.17 ± 0.02 Å
• α: 90°
• β: 97.721 ± 0.008°
• γ: 90°
• Cell volume: 5020 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2166
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No