Information card for entry 7251688

Structure parameters

• Common name: Di-methylated beta-CD progesterone clathrate hydrate
• Chemical name: heptakis(2,6-di-O-methyl)-β-cyclodextrin pregn-4-ene-3,20-dione clathrate hydrate
• Formula: C77 H130.2 O38.1
• Calculated formula: C77 H128 O38.125
• Title of publication: Dimethylated β-cyclodextrin inclusion complexes containing the guest steroid hormones progesterone and 17β-estradiol: syntheses, crystal structures, thermal analyses and steroid solubility enhancements
• Authors of publication: Vicatos, Alexios I.; Hoossen, Zakiena; Edmonds-Smith, Cesarina; Caira, Mino R.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1019 - 1029
• a: 15.469 ± 0.002 Å
• b: 17.297 ± 0.002 Å
• c: 16.518 ± 0.002 Å
• α: 90°
• β: 101.616 ± 0.002°
• γ: 90°
• Cell volume: 4329.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No