Information card for entry 7245748

Structure parameters

• Formula: C11 H22 Cl N O
• Calculated formula: C11 H22 Cl N O
• Title of publication: Annulated carbamates are precursors for the ring contraction of the adamantane framework
• Authors of publication: Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 48
• Pages of publication: 31056 - 31060
• a: 16.5645 ± 0.0008 Å
• b: 6.4393 ± 0.0003 Å
• c: 11.5062 ± 0.0005 Å
• α: 90.714 ± 0.001°
• β: 102.949 ± 0.002°
• γ: 90.789 ± 0.002°
• Cell volume: 1195.82 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No