Information card for entry 7062519

Structure parameters

• Chemical name: Cyclohexa-amylose hydrate methane complex
• Formula: C36.85 H67.95 O34.84
• Calculated formula: C36.853 H67.959 O34.836
• Title of publication: Methane capture with α-cyclodextrins
• Authors of publication: Jessen, Cecilie Høgfeldt; Bendix, Jesper; Nannestad, Theis Brock; Bordallo, Heloisa N.; Pedersen, Martin Jæger; Pedersen, Christian Marcus; Bols, Mikael
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 14624 - 14629
• a: 9.354 ± 0.0011 Å
• b: 14.3606 ± 0.0018 Å
• c: 37.141 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4989.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No