Information card for entry 1512213

Structure parameters

• Formula: C25 H23 N O4
• Calculated formula: C25 H23 N O4
• SMILES: O1[C@]23N4c5c([C@@]63[C@@](c3ccccc3)(C6)CC[C@H]2C[C@@]1(C4=O)C(=O)OCC)cccc5.O1[C@@]23N4c5c([C@]63[C@](c3ccccc3)(C6)CC[C@@H]2C[C@]1(C4=O)C(=O)OCC)cccc5
• Title of publication: Rh(II)-Catalyzed Reactions of Differentially Substituted Bis(diazo) Functionalities.
• Authors of publication: Bonderoff, Sara A.; Padwa, Albert
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 4114 - 4117
• a: 9.0316 ± 0.0002 Å
• b: 10.4052 ± 0.0002 Å
• c: 10.9083 ± 0.0003 Å
• α: 99.955 ± 0.001°
• β: 97.189 ± 0.001°
• γ: 97.411 ± 0.001°
• Cell volume: 989.77 ± 0.04 ų
• Cell temperature: 172.3 K
• Ambient diffraction temperature: 172.3 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: 0.0535
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No