Information card for entry 2204374

Structure parameters

• Common name: gem-chloronitroso-cyclododecane
• Chemical name: 1,1-chloronitroso-cyclododecane
• Formula: C12 H22 Cl N O
• Calculated formula: C12 H22 Cl N O
• SMILES: O=NC1(Cl)CCCCCCCCCCC1
• Title of publication: <i>gem</i>-Chloronitrosocyclododecane, (CH~2~)~<i>n~{‒</i>1}CNOCl, with <i>n</i> = 12
• Authors of publication: C.R. Girija.; Noor Shahina Begum; Abdul Karim, H.A.M; Gopalpur Nagendrappa.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1764 - o1766
• a: 8.3801 ± 0.0019 Å
• b: 9.543 ± 0.002 Å
• c: 16.348 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1307.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No