Information card for entry 1548039

Structure parameters

• Formula: C24 H12
• Calculated formula: C24 H12
• SMILES: c1c2ccc3ccc4ccc5ccc6ccc(c1)c1c2c3c4c5c61
• Title of publication: An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth
• Authors of publication: Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 11555
• a: 10.3855 ± 0.0012 Å
• b: 3.8212 ± 0.0003 Å
• c: 17.2111 ± 0.0018 Å
• α: 90°
• β: 96.235 ± 0.01°
• γ: 90°
• Cell volume: 678.98 ± 0.12 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 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: 0.1043
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No