Information card for entry 7245746

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: 16.6281 ± 0.0013 Å
• b: 6.4734 ± 0.0004 Å
• c: 11.5542 ± 0.0009 Å
• α: 90°
• β: 103.171 ± 0.003°
• γ: 90°
• Cell volume: 1210.98 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No