Information card for entry 7158016

Structure parameters

• Common name: 14
• Chemical name: Nordiamantane carboxylic acid
• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• Title of publication: Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework.
• Authors of publication: Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4027 - 4031
• a: 6.517 ± 0.0004 Å
• b: 10.4112 ± 0.0007 Å
• c: 15.8832 ± 0.001 Å
• α: 90°
• β: 97.934 ± 0.002°
• γ: 90°
• Cell volume: 1067.36 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No