Information card for entry 7250818

Structure parameters

• Formula: C25 H18 Cl N O5
• Calculated formula: C25 H18 Cl N O5
• Title of publication: DABCO-catalysed highly diastereoselective synthesis of 1,3-indandione containing fully saturated spirocyclopentanes involving 2-(2′-ketoalkyl)-1,3-indandiones and nitrostyrenes
• Authors of publication: Mishra, Gitanjali; Bobonga, Missa Saril; Islam, Khadimul; Chakraborty, Arundhuti; Thirupathi, Barla
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 30768 - 30780
• a: 9.2235 ± 0.0012 Å
• b: 9.6756 ± 0.0016 Å
• c: 12.758 ± 0.002 Å
• α: 101.342 ± 0.004°
• β: 99.504 ± 0.004°
• γ: 103.374 ± 0.004°
• Cell volume: 1059.2 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No