Information card for entry 1502402

Structure parameters

• Formula: C24 H16
• Calculated formula: C24 H16
• SMILES: c12ccccc1c1cccc3c1c1c(cc3)Cc3c1c(ccc3)C2
• Title of publication: New chiral cyclooctatriene-based polycyclic architectures.
• Authors of publication: Pieters, Grégory; Gaucher, Anne; Marrot, Jérôme; Maurel, François; Naubron, Jean-Valère; Jean, Marion; Vanthuyne, Nicolas; Crassous, Jeanne; Prim, Damien
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4450 - 4453
• a: 10.1508 ± 0.0002 Å
• b: 10.378 ± 0.0002 Å
• c: 15.321 ± 0.0004 Å
• α: 90°
• β: 99.993 ± 0.001°
• γ: 90°
• Cell volume: 1589.5 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No