Information card for entry 7104602

Structure parameters

• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• SMILES: O=C1C2(C3N(c4ccccc4c4ccccc34)CC2)C(=O)c2c1cccc2
• Title of publication: A new C-C bond forming annulation reaction leading to pH switchable heterocycles.
• Authors of publication: Kitson, Philip J; Parenty, Alexis D C; Richmond, Craig J; Long, De-Liang; Cronin, Leroy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 27
• Pages of publication: 4067 - 4069
• a: 6.2544 ± 0.0004 Å
• b: 11.5568 ± 0.0008 Å
• c: 11.9526 ± 0.0006 Å
• α: 98.758 ± 0.004°
• β: 97.634 ± 0.004°
• γ: 97.453 ± 0.003°
• Cell volume: 836.33 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No