Information card for entry 1545383

Structure parameters

• Chemical name: <i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide
• Formula: C17 H27 N O
• Calculated formula: C17 H27 N O
• SMILES: O=C(N[C@]12[C@H]([C@H]3[C@@]1(CCCC3(C)C)C)C(=CC2)C)C
• Title of publication: <i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide
• Authors of publication: Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170275
• a: 9.7147 ± 0.0003 Å
• b: 10.0052 ± 0.0003 Å
• c: 16.3078 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.08 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes