Information card for entry 2000705

Structure parameters

• Formula: C23 H37 D3 O3
• Calculated formula: C23 H37 D3 O3
• Title of publication: Structure of [20-CH~3~],[20-CD~3~]-methylpregnene-3,20-diol methanolate from neutron diffraction at 123 K
• Authors of publication: McMullan, R. K.; Koetzle, T. F.; Fronckowiak, M. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1509 - 1512
• a: 13.345 ± 0.003 Å
• b: 7.729 ± 0.002 Å
• c: 10.471 ± 0.002 Å
• α: 90°
• β: 101.18 ± 0.02°
• γ: 90°
• Cell volume: 1059.5 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.0508 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No