Information card for entry 7116722

Structure parameters

• Formula: C24 H34 O7
• Calculated formula: C24 H34 O7
• SMILES: C1C[C@@H]2[C@]([C@H]3CC[C@]4([C@H]([C@]13C)C/C=C1\[C@@H](COC1=O)OC(=O)C)CO4)(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: 12.4798 ± 0.0016 Å
• b: 12.7207 ± 0.0017 Å
• c: 14.3452 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2277.3 ± 0.5 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: 0.0357
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No