Information card for entry 2216887

Structure parameters

• Common name: nevirapine butanol 0.3-solvate
• Chemical name: 11-cyclopropyl-4-methyl-5,11-dihydro-6<i>H</i>-dipyrido[3,2-b:2',3'-e][1,4] diazepin-6-one butanol 0.3-solvate
• Formula: C16.2 H17 N4 O1.3
• Calculated formula: C16.2 H17 N4 O1.3
• Title of publication: Low-temperature study of a new nevirapine pseudopolymorph
• Authors of publication: C. C. P. da Silva; S. L. Cuffini; S. N. Faudone; A. P. Ayala; J. Ellena
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o292 - o292
• a: 7.8116 ± 0.0006 Å
• b: 8.4302 ± 0.0007 Å
• c: 12.5451 ± 0.0011 Å
• α: 84.817 ± 0.005°
• β: 88.415 ± 0.005°
• γ: 68.252 ± 0.004°
• Cell volume: 764.18 ± 0.11 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0986
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes