Information card for entry 1544437

Structure parameters

• Common name: <i>R</i>-Camphor-4-phenylthiosemicarbazone
• Chemical name: 4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide
• Formula: C17 H21 N3 O S
• Calculated formula: C17 H21 N3 O S
• SMILES: C\1(=N/NC(=S)Nc2ccccc2)C(=O)[C@@]2(CC[C@H]1C2(C)C)C.C\1(=N/NC(=S)Nc2ccccc2)C(=O)[C@]2(CC[C@@H]1C2(C)C)C
• Title of publication: 4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide
• Authors of publication: de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 11
• Pages of publication: x161730
• a: 11.7947 ± 0.0009 Å
• b: 14.2221 ± 0.0011 Å
• c: 18.7864 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3151.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes