Information card for entry 1575258

Structure parameters

• Formula: C28 H31 N O11
• Calculated formula: C28 H31 N O11
• 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: 10.507 ± 0.0001 Å
• b: 10.7999 ± 0.0002 Å
• c: 22.6843 ± 0.0003 Å
• α: 90°
• β: 103.214 ± 0.0007°
• γ: 90°
• Cell volume: 2505.94 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No