Information card for entry 7121243

Structure parameters

• Formula: C16 H24 O2
• Calculated formula: C16 H24 O2
• Title of publication: One-dimensional hydrogen bonding networks of bis-hydroxylated diamantane formed inside double-walled carbon nanotubes.
• Authors of publication: Nakanishi, Yusuke; Omachi, Haruka; Fokina, Natalie A.; Schreiner, Peter R.; Becker, Jonathan; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Shinohara, Hisanori
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 31
• Pages of publication: 3823 - 3826
• a: 6.5853 ± 0.0003 Å
• b: 8.4322 ± 0.0003 Å
• c: 11.3892 ± 0.0004 Å
• α: 92.3437 ± 0.0015°
• β: 91.5258 ± 0.0015°
• γ: 93.7139 ± 0.0015°
• Cell volume: 630.3 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No