Information card for entry 7107785

Structure parameters

• Formula: C10 H15 N S
• Calculated formula: C10 H15 N S
• SMILES: C1C[C@@H]2CCN3C(=S)CC[C@]13C2.C1C[C@H]2CCN3C(=S)CC[C@@]13C2
• Title of publication: Concise Synthesis of Bridged Azatricyclic Framework via Domino Semipinacol-Schmidt Reaction
• Authors of publication: Manohar Puppala; Annamalai Murali; Sundarababu Baskaran
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 46
• Pages of publication: 5778 - 5780
• a: 9.369 ± 0.0003 Å
• b: 10.7722 ± 0.0003 Å
• c: 11.8003 ± 0.0005 Å
• α: 106.662 ± 0.002°
• β: 102.457 ± 0.002°
• γ: 113.512 ± 0.002°
• Cell volume: 969.54 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.103
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No