Information card for entry 1555637

Structure parameters

• Formula: C29 H16 O
• Calculated formula: C29 H16 O
• SMILES: c12c3ccccc3ccc1ccc1C(=O)c3c(c4c(cc3)ccc3c4cccc3)c21
• Title of publication: Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.
• Authors of publication: Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 3654 - 3657
• a: 13.816 ± 0.002 Å
• b: 13.862 ± 0.003 Å
• c: 19.248 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3686.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No