Information card for entry 2215078

Structure parameters

• Chemical name: 14b-Chloro-4a-methoxy-3,3-dimethyl-2,3,4a,14b-tetrahydro-1H- benzo[a]pyrano[2,3-c]phenazine
• Formula: C22 H21 Cl N2 O2
• Calculated formula: C22 H21 Cl N2 O2
• Title of publication: 14b-Chloro-4a-methoxy-3,3-dimethyl-2,3,4a,14b-tetrahydro-1<i>H</i>-benzo[<i>a</i>]pyrano[2,3-<i>c</i>]phenazine: a new active structural type against <i>Mycobacterium tuberculosis</i>
• Authors of publication: Nunes, I. K. da C.; De Simone, C. A.; Silva, R. S. F.; Pinto, A. V.; Goulart, M. O. F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3686 - o3687
• a: 15.5498 ± 0.0006 Å
• b: 6.97 ± 0.0001 Å
• c: 17.4872 ± 0.0007 Å
• α: 90°
• β: 92.488 ± 0.002°
• γ: 90°
• Cell volume: 1893.51 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1209
• 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: Yes