Information card for entry 7040499

Structure parameters

• Formula: C23 H16 N2
• Calculated formula: C23 H16 N2
• SMILES: [nH]1c(c2c(c1)c1c(c3c2cccc3)cccc1)/C=N/c1ccccc1
• Title of publication: Boron complexes of aromatic ring fused iminopyrrolyl ligands: synthesis, structure, and luminescence properties.
• Authors of publication: Suresh, D.; Ferreira, Bruno; Lopes, Patrícia S; Gomes, Clara S. B.; Krishnamoorthy, Paramasivam; Charas, Ana; Vila-Viçosa, Diogo; Morgado, Jorge; Calhorda, Maria José; Maçanita, António L; Gomes, Pedro T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15603 - 15620
• a: 26.1429 ± 0.0014 Å
• b: 5.5789 ± 0.0003 Å
• c: 22.5584 ± 0.0011 Å
• α: 90°
• β: 102.477 ± 0.002°
• γ: 90°
• Cell volume: 3212.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No