Information card for entry 1569656

Structure parameters

• Chemical name: HNBI-B
• Formula: C33 H29 B N2 O3
• Calculated formula: C33 H29 B N2 O3
• SMILES: O1c2ccc3c(c2c2[n](c4c([nH]2)cccc4)[B]1(c1ccccc1)c1ccccc1)cccc3.O(C(=O)C)CC
• 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: 10.8845 ± 0.0007 Å
• b: 11.1645 ± 0.0007 Å
• c: 12.9737 ± 0.0008 Å
• α: 98.148 ± 0.004°
• β: 105.243 ± 0.004°
• γ: 112.124 ± 0.004°
• Cell volume: 1357.02 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No