Information card for entry 7230597

Structure parameters

• Formula: C21 H19 N3 O
• Calculated formula: C21 H19 N3 O
• Title of publication: 1,2,3-Triazole-fused spirochromenes as potential anti-tubercular agents: synthesis and biological evaluation
• Authors of publication: Ashok, Dongamanti; Chiranjeevi, Pamula; Kumar, Aamate Vikas; Sarasija, Madderla; Krishna, Vagolu Siva; Sriram, Dharmarajan; Balasubramanian, Sridhar
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 30
• Pages of publication: 16997
• a: 12.29074 ± 0.00014 Å
• b: 6.54998 ± 0.00008 Å
• c: 21.8593 ± 0.0003 Å
• α: 90°
• β: 106.299 ± 0.0005°
• γ: 90°
• Cell volume: 1689.04 ± 0.04 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No