Information card for entry 1575260

Structure parameters

• Formula: C28 H30 Cl N O9
• Calculated formula: C28 H30 Cl N O9
• Title of publication: Influence of the crystallisation approach on multicomponent systems of palmatine chloride
• Authors of publication: Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 35
• Pages of publication: 5901 - 5917
• a: 8.3964 ± 0.0002 Å
• b: 28.9669 ± 0.0005 Å
• c: 11.1056 ± 0.0002 Å
• α: 90°
• β: 103.121 ± 0.001°
• γ: 90°
• Cell volume: 2630.56 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No