Information card for entry 8101780

Structure parameters

• Chemical name: N-(4-(9,10-dioxo-anthracene-1-ylamino-1,4-dienylamino))- 5-dimethylaminonaphthalene-sulfonamide
• Formula: C32 H25 N3 O4 S
• Calculated formula: C32 H25 N3 O4 S
• SMILES: c1(c2C(=O)c3ccccc3C(=O)c2ccc1)Nc1ccc(cc1)NS(=O)(=O)c1cccc2c(cccc12)N(C)C
• Title of publication: Crystal structure of N-[4-(9,10-dioxo-anthracene-1-yl-amino-1,4-dienylamino)]- 5-dimethylaminonaphthalene-sulfonamide, C~32~H~25~N~3~O~4~S
• Authors of publication: Illos, R. A.; Ergaz, I.; Bittner, S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 285 - 286
• a: 19.895 ± 0.004 Å
• b: 8.431 ± 0.0017 Å
• c: 16.394 ± 0.003 Å
• α: 90°
• β: 108.65 ± 0.03°
• γ: 90°
• Cell volume: 2605.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0709
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No