Information card for entry 2000839

Structure parameters

• Formula: C21 H32 N2 O2
• Calculated formula: C21 H32 N2 O2
• SMILES: C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCc1c2non1)O
• Title of publication: Structure of (20<i>R</i>)-5α-pregnano[3,4-<i>c</i>][1,2,5]oxadiazol-20-ol (HS1011)
• Authors of publication: Maes, D.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1092 - 1095
• a: 7.353 ± 0.001 Å
• b: 10.153 ± 0.001 Å
• c: 25.324 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1890.6 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No