Information card for entry 4086623

Structure parameters

• Common name: 5
• Formula: C38 H28 N2
• Calculated formula: C38 H28 N2
• SMILES: N(c1ccccc1)(c1ccccc1)c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
• Title of publication: Modular Synthesis of Diarylalkynes and Their Efficient Conversion into Luminescent Tetraarylbutadienes
• Authors of publication: Shynkaruk, Olena; Qi, Yanyu; Cottrell-Callbeck, Aiden; Torres Delgado, William; McDonald, Robert; Ferguson, Michael J.; He, Gang; Rivard, Eric
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 13
• Pages of publication: 2232
• a: 5.61635 ± 0.00009 Å
• b: 11.25535 ± 0.00019 Å
• c: 11.73665 ± 0.00018 Å
• α: 104.289 ± 0.0005°
• β: 98.3322 ± 0.0005°
• γ: 93.168 ± 0.0006°
• Cell volume: 708.16 ± 0.02 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No