Information card for entry 4115541

Structure parameters

• Formula: C37 H54 O5
• Calculated formula: C37 H54 O5
• 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: 14.02 ± 0.01 Å
• b: 7.933 ± 0.002 Å
• c: 15.804 ± 0.004 Å
• α: 90°
• β: 109.07 ± 0.05°
• γ: 90°
• Cell volume: 1661.3 ± 1.4 ų
• Cell temperature: 209.8 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
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.416
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No