Information card for entry 1507631

Structure parameters

• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• SMILES: O=C1N(c2c(N1C)cc(c(c2c1ccc(OC)cc1)CO)CO)Cc1ccccc1
• Title of publication: Total synthesis of 7'-desmethylkealiiquinone.
• Authors of publication: Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2274 - 2277
• a: 30.346 ± 0.005 Å
• b: 10.9036 ± 0.0015 Å
• c: 13.4081 ± 0.0018 Å
• α: 90°
• β: 113.244 ± 0.003°
• γ: 90°
• Cell volume: 4076.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No