Information card for entry 4031560

Structure parameters

• Formula: C34 H24
• Calculated formula: C34 H24
• SMILES: c1cccc2c1C1(c3c2cccc3)c2ccc(cc2C(=C1c1ccccc1)c1ccccc1)C
• Title of publication: One-Pot Synthesis of Polysubstituted Spirofluorene-Indene via Ru(II)-Catalyzed [3 + 2] Annulation and Intramolecular Friedel-Crafts Cyclization.
• Authors of publication: Zhu, Yu-Qin; Dong, Lin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 9973 - 9979
• a: 10.4443 ± 0.0004 Å
• b: 17.7411 ± 0.0008 Å
• c: 12.8612 ± 0.0007 Å
• α: 90°
• β: 92.33 ± 0.004°
• γ: 90°
• Cell volume: 2381.12 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No