Information card for entry 2001400

Structure parameters

• Chemical name: 1,5-Dihydro-3-(4,7-dihydro-1,3-dioxepin-2-yl)-8-methyl-3H-[1,3]- -dioxepino[5,6-c]pyridinium-9-ol maleate
• Formula: C18 H21 N O9
• Calculated formula: C18 H21 N O9
• Title of publication: 1,5-Dihydro-3-(4,7-dihydro-1,3-dioxepin-2-yl)-8-methyl-3<i>H</i>-[1,3]dioxepino[5,6-<i>c</i>]pyridinium-9-ol maleate
• Authors of publication: Vinković, M.; Dumić, M.; Kamenar, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1659 - 1661
• a: 6.465 ± 0.003 Å
• b: 20.72 ± 0.007 Å
• c: 13.717 ± 0.004 Å
• α: 90°
• β: 95.61 ± 0.02°
• γ: 90°
• Cell volume: 1828.7 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 2.139
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No