Information card for entry 4131688

Structure parameters

• Formula: C24 H24 N2 O2
• Calculated formula: C24 H24 N2 O2
• SMILES: C(#Cc1cccc(c1)NC(=O)C(C)C)C#Cc1cccc(c1)NC(=O)C(C)C
• Title of publication: Synthesis of N = 8 Armchair Graphene Nanoribbons from Four Distinct Polydiacetylenes.
• Authors of publication: Jordan, Robert S.; Li, Yolanda L.; Lin, Cheng-Wei; McCurdy, Ryan D.; Lin, Janice B.; Brosmer, Jonathan L.; Marsh, Kristofer L.; Khan, Saeed I.; Houk, K. N.; Kaner, Richard B.; Rubin, Yves
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 44
• Pages of publication: 15878 - 15890
• a: 4.7918 ± 0.0002 Å
• b: 5.431 ± 0.0002 Å
• c: 19.0454 ± 0.0007 Å
• α: 88.299 ± 0.002°
• β: 89.48 ± 0.001°
• γ: 81.756 ± 0.002°
• Cell volume: 490.3 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No