Information card for entry 2001836

Structure parameters

• Formula: C24 H19 N O2
• Calculated formula: C24 H19 N O2
• SMILES: C[C@H]1c2ccccc2C(=O)[C@@]21ON=C([C@@H]2c1ccccc1)c1ccccc1.C[C@@H]1c2ccccc2C(=O)[C@]21ON=C([C@H]2c1ccccc1)c1ccccc1
• Title of publication: Etude de la regio et de la stéréospecificité de l'addition du phénylnitriloxyde au 3-methyl-2-benzylidene indan-1-one. Structure de l'adduit obtenu
• Authors of publication: Toupet, L.; Chekti, R.; Soufiaoui, M.; Carrie, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 844 - 846
• a: 10.633 ± 0.004 Å
• b: 11.648 ± 0.006 Å
• c: 17.236 ± 0.007 Å
• α: 76.3 ± 0.03°
• β: 83.16 ± 0.03°
• γ: 64.95 ± 0.03°
• Cell volume: 1878.5 ± 1.5 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No