Information card for entry 7242587

Structure parameters

• Common name: ORGANIC
• Formula: C16 H14 Cl N O3
• Calculated formula: C16 H14 Cl N O3
• SMILES: Clc1cc2N(Cc3ccccc3)C(=O)C(O)(c2cc1)CO
• Title of publication: Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst
• Authors of publication: Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 12808 - 12814
• a: 62.21 ± 0.008 Å
• b: 17.713 ± 0.002 Å
• c: 5.2259 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5758.6 ± 1.3 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No