Information card for entry 7160026

Structure parameters

• Formula: C25 H21 Cl O4
• Calculated formula: C25 H21 Cl O4
• Title of publication: L-Proline-catalysed synthesis of chromeno[2,3-<i>b</i>]chromene from 4-hydroxy-2<i>H</i>-chromene-2-thione and an anti-proliferative study.
• Authors of publication: Mandal, Arnab; Singh, Satyajit; Arora, Arisha; Nambiar, Sujisha S.; Ghosh, Siddhartha S.; Khan, Abu Taleb
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 26
• Pages of publication: 5333 - 5345
• a: 9.361 ± 0.0007 Å
• b: 11.2049 ± 0.0008 Å
• c: 11.6661 ± 0.0009 Å
• α: 103.78 ± 0.003°
• β: 93.986 ± 0.003°
• γ: 114.062 ± 0.002°
• Cell volume: 1065.83 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 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: 0.0728
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0368
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No