Information card for entry 7224700

Structure parameters

• Common name: N-(3'-acetyl-17-oxospiro[19-norandrost-4-ene-3,2'-[1,3,4]-thiadiazoline]-5'-yl)acetamide
• Chemical name: N-(3'-acetyl-17-oxospiro[19-norandrost-4-ene-3,2'-[1,3,4]-thiadiazoline]-5'-yl)acetamide
• Formula: C23 H31 N3 O3 S
• Calculated formula: C23 H31 N3 O3 S
• SMILES: S1[C@]2(N(N=C1NC(=O)C)C(=O)C)CC[C@H]1C(=C2)CC[C@@H]2[C@@H]1CC[C@]1([C@H]2CCC1=O)C
• Title of publication: Synthesis, characterization and in vitro cytotoxic activities of new steroidal thiosemicarbazones and thiadiazolines
• Authors of publication: Živković, Marijana B; Matić, Ivana Z; Rodić, Marko V; Novaković, Irena T; Sladić, Dušan; Krstic, Natalija
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 21.981 ± 0.0003 Å
• b: 21.981 ± 0.0003 Å
• c: 10.9904 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5310.17 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No