Information card for entry 7055756

Structure parameters

• Chemical name: 4-ethenylbenzyl N'-[(E)-phenylmethylidene]carbamohydrazonothioate
• Formula: C17 H17 N3 S
• Calculated formula: C17 H17 N3 S
• SMILES: S(Cc1ccc(cc1)C=C)\C(N)=N/N=C/c1ccccc1
• Title of publication: Magnetic nanoparticles with chelating shells prepared by RAFT/MADIX polymerization
• Authors of publication: Markiewicz, Karolina H.; Zembko, Paula; Półtorak, Katarzyna; Misztalewska, Iwona; Wojtulewski, Sławomir; Majcher, Anna M.; Fornal, Emilia; Wilczewska, Agnieszka Z.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9223
• a: 8.66567 ± 0.00019 Å
• b: 9.3865 ± 0.0003 Å
• c: 10.4897 ± 0.0003 Å
• α: 84.169 ± 0.002°
• β: 87.2611 ± 0.0019°
• γ: 64.997 ± 0.002°
• Cell volume: 769.26 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0519
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No