Information card for entry 7119614

Structure parameters

• Formula: C37 H29 N2 O2 S
• Calculated formula: C37 H29 N2 O2 S
• SMILES: S(=O)(=O)(N(/C=C\1C(n2c(C1)c(c1c2cccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(c[c]1)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: 17.0963 ± 0.0019 Å
• b: 5.7666 ± 0.0006 Å
• c: 30.224 ± 0.003 Å
• α: 90°
• β: 96.798 ± 0.01°
• γ: 90°
• Cell volume: 2958.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0365
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No