Information card for entry 7131354

Structure parameters

• Formula: C18 H16 N1.333 O2.667
• Calculated formula: C18 H16 N1.33333 O2.66667
• Title of publication: A unified approach to benzo[<i>c</i>]phenanthridines <i>via</i> the cascade dual-annulation/formylation of 2-alkynyl/alkenylbenzonitriles.
• Authors of publication: Verma, Shalini; Kumar, Manoj; Verma, Akhilesh K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 25
• Pages of publication: 3723 - 3726
• a: 7.9461 ± 0.0005 Å
• b: 11.7904 ± 0.0008 Å
• c: 12.9458 ± 0.0008 Å
• α: 72.328 ± 0.006°
• β: 81.715 ± 0.005°
• γ: 77.874 ± 0.006°
• Cell volume: 1125.63 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1762
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0276
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No