Information card for entry 2008215

Structure parameters

• Chemical name: 1,2,3,4,6,7-hexahydro-10-methyl-naphtho[2,3-c]acridine
• Formula: C22 H21 N
• Calculated formula: C22 H21 N
• SMILES: Cc1ccc2c(c1)cc1c(n2)c2cc3CCCCc3cc2CC1
• Title of publication: 7,8,10,11,12,13-Hexahydro-4-methylnaphtho[2,3-<i>c</i>]acridine
• Authors of publication: Jayanta Kumar Ray; Manas Kumar Haldar; Susmita Gupta; Kandasamy Chinnakali; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 397 - 399
• a: 12.2516 ± 0.0008 Å
• b: 13.2439 ± 0.0009 Å
• c: 10.1913 ± 0.0007 Å
• α: 90°
• β: 90.291 ± 0.002°
• γ: 90°
• Cell volume: 1653.61 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No