Information card for entry 7119613

Structure parameters

• Formula: C40 H36 N2 O2 S
• Calculated formula: C40 H36 N2 O2 S
• SMILES: S(=O)(=O)(N(/C=C1/C(n2c(c(c3c2cccc3)c2ccccc2)C1)c1ccccc1)c1c(cc(cc1C)C)C)c1ccc(cc1)C
• Title of publication: [3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.
• Authors of publication: Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 196 - 199
• a: 12.3872 ± 0.0006 Å
• b: 14.0558 ± 0.0006 Å
• c: 20.5038 ± 0.001 Å
• α: 87.217 ± 0.004°
• β: 82.18 ± 0.004°
• γ: 66.748 ± 0.004°
• Cell volume: 3249.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1364
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No