Information card for entry 7116721

Structure parameters

• Formula: C24 H34 O6
• Calculated formula: C24 H34 O6
• SMILES: C1C[C@@H]2[C@]([C@H]3CCC(=C)[C@H]([C@]13C)C/C=C1\[C@@H](COC1=O)OC(=O)C)(CO[C@@H](C)O2)C
• Title of publication: Synthesis and evaluation of anticancer activity of novel andrographolide derivatives
• Authors of publication: Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 898
• a: 11.987 ± 0.003 Å
• b: 12.551 ± 0.003 Å
• c: 14.454 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2174.6 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No