Information card for entry 7132927

Structure parameters

• Chemical name: NM-01-177
• Formula: C35 H25 N O2 S
• Calculated formula: C35 H25 N O2 S
• SMILES: S(=O)(=O)(n1c2c(cc3c(c2c2ccccc2)ccc(c2ccccc2)c3)c2c1cccc2)c1ccc(cc1)C
• Title of publication: A one-pot telescopic synthesis of benzo[<i>b</i>]carbazoles and exploration of their liquid crystalline properties.
• Authors of publication: Malik, Nirmal; De, Ritobrata; Pal, Santanu Kumar; Ramasastry, S. S. V.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 36
• Pages of publication: 4797 - 4800
• a: 8.8511 ± 0.0003 Å
• b: 10.7751 ± 0.0003 Å
• c: 14.2389 ± 0.0004 Å
• α: 81.33 ± 0.002°
• β: 88.876 ± 0.002°
• γ: 74.316 ± 0.002°
• Cell volume: 1292.16 ± 0.07 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0701
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0481
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No