Information card for entry 4115540

Structure parameters

• Formula: C36 H52 O6
• Calculated formula: C36 H55 O6
• Title of publication: Controlled Expansion of a Molecular Cavity in a Steroid Host Compound
• Authors of publication: Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4386 - 4392
• a: 14.101 ± 0.002 Å
• b: 8.036 ± 0.002 Å
• c: 15.75 ± 0.01 Å
• α: 90°
• β: 114.144 ± 0.004°
• γ: 90°
• Cell volume: 1628.6 ± 1.1 ų
• Cell temperature: 213.2 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 significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.403
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No