Information card for entry 4037059

Structure parameters

• Formula: C40 H27 N
• Calculated formula: C40 H27 N
• SMILES: c12c3c4c5c6c7c1c1c(cc2n(c3ccc4ccc5ccc6ccc7)CCCC)c2c3ccccc3ccc2cc1
• Title of publication: Synthesis and Photophysical Properties of Aza[n]helicenes.
• Authors of publication: Upadhyay, Gourav M.; Talele, Harish R.; Bedekar, Ashutosh V.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 7751 - 7759
• a: 13.33994 ± 0.00019 Å
• b: 22.145 ± 0.0003 Å
• c: 8.96791 ± 0.00014 Å
• α: 90°
• β: 92.0494 ± 0.0013°
• γ: 90°
• Cell volume: 2647.54 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0332
• Diffraction radiation wavelength: 1.54184 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No