Information card for entry 1543066

Structure parameters

• Chemical name: <i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide
• Formula: C18 H26 Cl2 N2 O
• Calculated formula: C18 H26 Cl2 N2 O
• SMILES: ClC1(Cl)[C@]23[C@]1(CCCC([C@H]2C=C(C(=N\NC(=O)C)\C3)C)(C)C)C
• Title of publication: <i>N</i>'-[(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-yl]acetohydrazide
• Authors of publication: Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; Daran, Jean-Claude; Berraho, Moha
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160554
• a: 9.9172 ± 0.0005 Å
• b: 10.001 ± 0.0005 Å
• c: 10.4124 ± 0.0005 Å
• α: 86.863 ± 0.004°
• β: 84.173 ± 0.004°
• γ: 66.037 ± 0.004°
• Cell volume: 938.73 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes