Information card for entry 1553357

Structure parameters

• Formula: C10 H8 N O3
• Calculated formula: C10 H8 N O3
• SMILES: [nH]1c2cc(c(cc2ccc1=O)OC)O
• Title of publication: In Vitro Mechanistic Study of the Anti-inflammatory Activity of a Quinoline Isolated from Spondias pinnata Bark.
• Authors of publication: Ghate, Nikhil B.; Chaudhuri, Dipankar; Panja, Sourav; Singh, Sudhir S.; Gupta, Gajendra; Lee, Chang Yeon; Mandal, Nripendranath
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 9
• Pages of publication: 1956 - 1961
• a: 6.7548 ± 0.0006 Å
• b: 7.6045 ± 0.0006 Å
• c: 8.7945 ± 0.0007 Å
• α: 109.953 ± 0.001°
• β: 90.989 ± 0.002°
• γ: 98.977 ± 0.002°
• Cell volume: 418.22 ± 0.06 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: 0.077
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No