Information card for entry 7109290

Structure parameters

• Formula: C31 H23 I
• Calculated formula: C31 H23 I
• SMILES: IC(=C(c1ccccc1)c1ccccc1)c1c(cc2ccccc2c1)c1ccc(cc1)C
• Title of publication: Highly regioselective ring-opening coupling of diarylmethylenecyclopropa[b]naphthalenes with Grignard reagents
• Authors of publication: Jian Cao; Xian Huang; Luling Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4788
• a: 10.1953 ± 0.0006 Å
• b: 10.2701 ± 0.0007 Å
• c: 13.6377 ± 0.0007 Å
• α: 68.376 ± 0.006°
• β: 75.947 ± 0.005°
• γ: 66.85 ± 0.006°
• Cell volume: 1212.53 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0439
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0707
• 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