Information card for entry 2202482

Structure parameters

• Chemical name: 34,35-Dimethyl-13,20-dioxa-10,23-diaza-3,30- dithiapentacyclo[30.4.0.0^4,9^.0^14,19^.0^24,29^]hexatriconta- 1(36),4,6,8,14,16,18,24,26,28,32,34-dodecane-11,22-dione
• Formula: C32 H30 N2 O4 S2
• Calculated formula: C32 H30 N2 O4 S2
• SMILES: S1Cc2cc(c(cc2CSc2ccccc2NC(=O)COc2ccccc2OCC(=O)Nc2ccccc12)C)C
• Title of publication: 34,35-Dimethyl-13,20-dioxa-10,23-diaza-3,30-dithiapentacyclo[30.4.0.0^4,9^.0^14,19^.0^24,29^]hexatriconta-1(36),4,6,8,14,16,18,24,26,28,32,34-dodecane-11,22-dione
• Authors of publication: Sundari Bhaskaran; S. Selvanayagam; V. Rajakannan; D. Velmurugan; K. Ravikumar; A. Mohammed Abdul Rasheed; P. Rajakumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1304 - o1306
• a: 8.586 ± 0.0007 Å
• b: 12.909 ± 0.001 Å
• c: 14.7552 ± 0.0011 Å
• α: 65.065 ± 0.001°
• β: 84.701 ± 0.001°
• γ: 76.522 ± 0.001°
• Cell volume: 1442.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes