Information card for entry 2000648

Structure parameters

• Chemical name: 1-Indanone-2-spiro-4'-N-phenylpiperidine
• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: O=C1c2ccccc2CC21CCN(CC2)c1ccccc1
• Title of publication: Structure and conformation of 1'-phenylindan-2-spiro-4'-piperidin-1-one
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Forconi, H.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1727 - 1730
• a: 29.018 ± 0.003 Å
• b: 8.53 ± 0.001 Å
• c: 11.762 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2911.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c a
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0566
• Goodness-of-fit parameter for significantly intense reflections: 0.8064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: X-rayCuK-αmean
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No