Information card for entry 2235574

Structure parameters

• Chemical name: 3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b- tetrahydro-3a<i>H</i>,8<i>H</i>-naphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one
• Formula: C21 H24 N2 O2
• Calculated formula: C21 H24 N2 O2
• SMILES: O=C1O[C@H]2[C@@H](CC[C@]3(C=C/C(=N\Nc4ccccc4)C(=C23)C)C)[C@@H]1C
• Title of publication: 3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b-tetrahydro-3a<i>H</i>,8<i>H</i>-naphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one
• Authors of publication: Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2112
• a: 10.5104 ± 0.0012 Å
• b: 11.5726 ± 0.0014 Å
• c: 15.4401 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1878 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• 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
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes