Information card for entry 4123262

Structure parameters

• Formula: C23 H16
• Calculated formula: C23 H16
• SMILES: c1ccc([C@H]2c3c4ccccc4ccc3c3ccccc23)cc1
• Title of publication: Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.
• Authors of publication: Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 3
• Pages of publication: 1165 - 1180
• a: 10.4301 ± 0.0014 Å
• b: 6.0297 ± 0.0008 Å
• c: 12.7142 ± 0.0017 Å
• α: 90°
• β: 108.918 ± 0.001°
• γ: 90°
• Cell volume: 756.41 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No