Information card for entry 7244986

Structure parameters

• Formula: C30 H22 N2 O3
• Calculated formula: C30 H22 N2 O3
• SMILES: c1ccc2c3c1ccc1c3c(cc2)ccc1[C@@H]1[C@@]23[C@](C(=O)O1)(c1c(cccc1)NC3=O)N(CC2)C.c1ccc2c3c1ccc1c3c(cc2)ccc1[C@H]1[C@]23[C@@](C(=O)O1)(c1c(cccc1)NC3=O)N(CC2)C
• Title of publication: Environmentally friendly domino multicomponent strategy for the synthesis of pyrroloquinolinone hybrid heterocycles
• Authors of publication: Mani, Suresh; Raju, Rajesh; Raghunathan, Raghavacharry; Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Perumal, Karthikeyan
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 24
• Pages of publication: 15440 - 15446
• a: 9.2325 ± 0.0006 Å
• b: 10.3765 ± 0.0007 Å
• c: 12.0442 ± 0.0008 Å
• α: 77.914 ± 0.004°
• β: 82.549 ± 0.004°
• γ: 81.437 ± 0.004°
• Cell volume: 1109.89 ± 0.13 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: 0.0627
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No