Information card for entry 7240760

Structure parameters

• Formula: C37 H33 N5 O4
• Calculated formula: C37 H33 N5 O4
• SMILES: O=N(=O)[C@@H]1[C@@H](N[C@@]2(c3nc4c(nc3c3c2cccc3)cccc4)[C@H]1c1ccc(cc1)C)Cc1c2c([nH]c1)cccc2.O=C(OC)C.O=N(=O)[C@H]1[C@H](N[C@]2(c3nc4c(nc3c3c2cccc3)cccc4)[C@@H]1c1ccc(cc1)C)Cc1c2c([nH]c1)cccc2.O=C(OC)C
• Title of publication: Regio- and diastereoselective synthesis of spiropyrroloquinoxaline grafted indole heterocyclic hybrids and evaluation of their anti-Mycobacterium tuberculosis activity
• Authors of publication: Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Mohammad Ali Al-Aizari, Abdul Jaleel; Alaqeel, Shatha Ibrahim; Kansız, Sevgi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Dege, Necmi
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 40
• Pages of publication: 23522 - 23531
• a: 11.5002 ± 0.0007 Å
• b: 11.7543 ± 0.0008 Å
• c: 14.3642 ± 0.001 Å
• α: 97.266 ± 0.005°
• β: 106.616 ± 0.005°
• γ: 111.9 ± 0.005°
• Cell volume: 1666 ± 0.2 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: 0.1384
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No