Information card for entry 2007910

Structure parameters

• Chemical name: 2-aza-1-tertbuthyl-4-methyl-9-methoxy-1,2,3,4-tetrahydro-fluoren-2-one.
• Formula: C18 H23 N O2
• Calculated formula: C18 H23 N O2
• SMILES: O([C@H]1c2c(C3=C1[C@H](NC(=O)[C@H]3C)C(C)(C)C)cccc2)C.O([C@@H]1c2c(C3=C1[C@@H](NC(=O)[C@@H]3C)C(C)(C)C)cccc2)C
• Title of publication: 1-<i>tert</i>-Butyl-9-methoxy-4-methyl-1,2,3,4-tetrahydro-2-azafluoren-3-one, a Novel Fluorenone
• Authors of publication: García-Granda, Santiago; Santiago-García, Rafael; Sanni, S. Bamidele; Suárez-Sobrino, Angel; Santamaría, Javier
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1961 - 1963
• a: 10.571 ± 0.003 Å
• b: 6.3565 ± 0.0015 Å
• c: 24.36 ± 0.01 Å
• α: 90°
• β: 100.37 ± 0.04°
• γ: 90°
• Cell volume: 1610.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No