Information card for entry 2202361

Structure parameters

• Chemical name: 30,31-Dimethyl-3,26-dioxa-11,18- diazapentacyclo[26.4.0.0^4,9^.0^12,17^.0^20,25^]dotriconta- 1(32),4,6,8,12,14,16,20,22,24,28,30-dodecaene-10,19-dione
• Formula: C30 H26 N2 O4
• Calculated formula: C30 H26 N2 O4
• SMILES: N1c2ccccc2NC(=O)c2ccccc2OCc2cc(c(cc2COc2ccccc2C1=O)C)C
• Title of publication: 30,31-Dimethyl-3,26-dioxa-11,18-diazapentacyclo[26.4.0.0^4,9^.0^12,17^.0^20,25^]dotriconta-1(32),4,6,8,12,14,16,20,22,24,28,30-dodecaene-10,19-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: o1429 - o1431
• a: 15.5767 ± 0.0009 Å
• b: 15.7746 ± 0.0009 Å
• c: 20.5721 ± 0.0012 Å
• α: 90°
• β: 102.541 ± 0.001°
• γ: 90°
• Cell volume: 4934.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes