Information card for entry 2200406

Structure parameters

• Chemical name: N(2)-Acetyl-1,3-diphenyl-1,2,3,4-tetrahydrobenzo[b]-1,6-naphthyridine
• Formula: C26 H22 N2 O
• Calculated formula: C26 H22 N2 O
• SMILES: n1c2c(cc3[C@@H](N([C@@H](Cc13)c1ccccc1)C(=O)C)c1ccccc1)cccc2.n1c2c(cc3[C@H](N([C@H](Cc13)c1ccccc1)C(=O)C)c1ccccc1)cccc2
• Title of publication: <i>N</i>(6)-Acetyl-5,7-diphenyl-5,6,7,8-tetrahydrobenzo[<i>b</i>]-1,6-naphthyridine
• Authors of publication: Laavanya, Parthasarathi; Panchanatheswaran, Krishnaswamy; Sivakumar, Balasubramanian; Jeyaraman, Ramasubbu; Krause Bauer, Jeanette A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o599 - o601
• a: 10.394 ± 0.002 Å
• b: 10.493 ± 0.003 Å
• c: 20.265 ± 0.004 Å
• α: 76.03 ± 0.02°
• β: 79.83 ± 0.02°
• γ: 72.21 ± 0.02°
• Cell volume: 2029.6 ± 0.9 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: 0.1422
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes