Information card for entry 1513951

Structure parameters

• Formula: C45 H31 N O2
• Calculated formula: C45 H31 N O2
• SMILES: CCC(N1C(=O)c2c(C1=O)c1c3ccccc3c3c(c1c1c2c2ccccc2c2c1c1ccccc1cc2)c1ccccc1cc3)CC
• Title of publication: Helicenes from diarylmaleimides.
• Authors of publication: Bock, Harald; Subervie, Daniel; Mathey, Pierre; Pradhan, Anirban; Sarkar, Parantap; Dechambenoit, Pierre; Hillard, Elizabeth A.; Durola, Fabien
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1546 - 1549
• a: 16.1601 ± 0.0008 Å
• b: 8.647 ± 0.0004 Å
• c: 22.3451 ± 0.0011 Å
• α: 90°
• β: 94.538 ± 0.002°
• γ: 90°
• Cell volume: 3112.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No