Information card for entry 4028195

Structure parameters

• Common name: meropenem
• Formula: C18 H15 N3 O
• Calculated formula: C18 H15 N3 O
• SMILES: O=C1N2c3ccccc3c3n(c4ccccc4n3)[C@@]2(CC1)C
• Title of publication: Au(I)/Ag(I)-Catalyzed Cascade Approach for the Synthesis of Benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinones
• Authors of publication: Xun Ji; Yu Zhou; Jinfang Wang; Linxiang Zhao; Hualiang Jiang; Hong Liu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4312 - 4318
• a: 6.5595 ± 0.0001 Å
• b: 13.8801 ± 0.0003 Å
• c: 15.4276 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1404.63 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No