Information card for entry 2009985

Structure parameters

• Chemical name: 5-(2,4-Dichlorophenyl)-2-[(3-furoyl)aminomethyl]-8-methoxy- 1-methyl-2,3-dihydro-1H-1,4-benzodiazepine p-Toluenesulphonate
• Formula: C30 H29 Cl2 N3 O6 S
• Calculated formula: C30 H29 Cl2 N3 O6 S
• Title of publication: 5-(2,4-Dichlorophenyl)-2-[(3-furoyl)aminomethyl]-8-methoxy-1-methyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium <i>p</i>-toluenesulfonate
• Authors of publication: Peeters, O.M.; Blaton, N.M.; Meurisse, R.L.; De Ranter, C.J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1352 - 1354
• a: 9.857 ± 0.001 Å
• b: 12.048 ± 0.001 Å
• c: 18.6205 ± 0.0006 Å
• α: 81.893 ± 0.007°
• β: 130.239 ± 0.001°
• γ: 115.938 ± 0.008°
• Cell volume: 1485.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.0738
• Goodness-of-fit parameter for significantly intense reflections: 1.67
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No