Information card for entry 7117758

Structure parameters

• Formula: C30 H26 N2 S
• Calculated formula: C30 H26 N2 S
• SMILES: C(c1ccccc1)N1C(=N\Cc2ccccc2)\S/C(=C\c2ccccc2)C1c1ccccc1
• Title of publication: An asymmetric alkynylation/hydrothiolation cascade: an enantioselective synthesis of thiazolidine-2-imines from imines, acetylenes and isothiocyanates
• Authors of publication: Alok Ranjan; Anupam Mandal; Swapnil G. Yerande; Dattatraya H. Dethe
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14215
• a: 19.059 ± 0.005 Å
• b: 5.647 ± 0.0014 Å
• c: 42.733 ± 0.011 Å
• α: 90°
• β: 93.669 ± 0.008°
• γ: 90°
• Cell volume: 4590 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No