Information card for entry 1569655

Structure parameters

• Chemical name: NHAC (Control)
• Formula: C41 H29 N5 O2
• Calculated formula: C41 H29 N5 O2
• SMILES: N(=C\c1c2c(cccc2)ccc1)/c1c(NC(=O)c2nc(C(=O)Nc3c(/N=C/c4c5ccccc5ccc4)cccc3)ccc2)cccc1
• Title of publication: Luminescent hexagonal microtubes prepared through water-induced self-assembly of a polymorphic organoboron compound: formation mechanism and waveguide behaviour.
• Authors of publication: Gaikwad, Pradip A.; Samadder, Prodipta; Som, Shubham; Chopra, Deepak; Neelakandan, Prakash P.; Srivastava, Aasheesh
• Journal of publication: Nanoscale
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 14380 - 14387
• a: 12.4143 ± 0.0007 Å
• b: 19.3563 ± 0.0009 Å
• c: 13.0636 ± 0.0006 Å
• α: 90°
• β: 103.997 ± 0.003°
• γ: 90°
• Cell volume: 3045.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0927
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No