Information card for entry 7151681

Structure parameters

• Formula: C38 H36 N O7
• Calculated formula: C38 H36 N O7
• SMILES: O=C(OC)[C@]12Cc3ccccc3C[C@](CC3=C(C1)C[C@H]1C(=O)N(C(=O)[C@H]1C3)c1ccccc1)(C2=O)C(=O)OC.c1(ccccc1)C
• Title of publication: New strategy to construct fused/bridged/spiro carbocyclic scaffolds based on the design of novel 6-C synthon precursor.
• Authors of publication: Liu, Jia; Wang, Xi; Sun, Chang-Liang; Li, Bi-Jie; Shi, Zhang-Jie; Wang, Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1572 - 1577
• a: 9.851 ± 0.002 Å
• b: 11.303 ± 0.002 Å
• c: 15.868 ± 0.003 Å
• α: 82.36 ± 0.03°
• β: 76.88 ± 0.03°
• γ: 64.54 ± 0.03°
• Cell volume: 1552.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No