Information card for entry 7248419

Structure parameters

• Formula: C33 H28 N2 O4
• Calculated formula: C33 H28 N2 O4
• SMILES: O=C1Nc2c([C@@]31N[C@H]([C@@H]([C@]13C(=O)c3c(OC1)cccc3)c1ccc(OC)cc1)Cc1ccccc1)cccc2.O=C1Nc2c([C@]31N[C@@H]([C@H]([C@@]13C(=O)c3c(OC1)cccc3)c1ccc(OC)cc1)Cc1ccccc1)cccc2
• Title of publication: Activity against <i>Mycobacterium tuberculosis</i> of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.
• Authors of publication: Alkaltham, Manal Fahad; Almansour, Abdulrahman I.; Arumugam, Natarajan; Vagolu, Siva Krishna; Tønjum, Tone; Alaqeel, Shatha Ibrahim; Rajaratnam, Saiswaroop; Sivaramakrishnan, Venketesh
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 11604 - 11613
• a: 10.392 ± 0.002 Å
• b: 11.038 ± 0.002 Å
• c: 13.93 ± 0.003 Å
• α: 66.842 ± 0.006°
• β: 83.821 ± 0.008°
• γ: 68.789 ± 0.006°
• Cell volume: 1368.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0744
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No