Information card for entry 7224784

Structure parameters

• Formula: C34 H29 N3 O6
• Calculated formula: C34 H29 N3 O6
• SMILES: c1(c(OC)cc(cc1OC)C#Cc1c2c(c(C#Cc3cc(c(c(c3)OC)OC)OC)cc1)nn(c1ccccc1)n2)OC
• Title of publication: Self-assembly of T-shape 2H-benzo[d][1,2,3]-triazoles. Optical wadeguide and photophysical properties
• Authors of publication: Prieto, Pilar; Torres, Iván; Carrillo, Jose Ramon; Diaz, Angel; Martín, Raúl; Gómez, Maria Victoria; Stegemann, Linda; Strassert, Cristian; Orduna, Jesus; Buendía, Julia; Greciano, Elisa E.; Valera, Jorge Santos; Matesanz, Emilio; Sanchez, Luis
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.3185 ± 0.0016 Å
• b: 23.454 ± 0.004 Å
• c: 8.7139 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2926.4 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1679
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No