Information card for entry 7107801

Structure parameters

• Chemical name: 1,2,6,6a,7,7a,8,9,17,17a,18,18a-dodecahydroanthra[2,1-c]naphtho- [2,3-f]cinnoline-10,15(5H,16H)-dihydrazone, Ethanol solvate
• Formula: C30 H38 N6 O
• Calculated formula: C30 H38 N6 O
• Title of publication: Facile access to a series of large polycondensed pyridazines and their utility for the supramolecular synthesis of coordination polymers
• Authors of publication: Domasevitch, Konstantin V.; Solntsev, Pavlo V.; Krautscheid, Harald; Zhylenko, Iryna S.; Rusanov, Eduard B.; Chernega, Alexander N.
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 5847
• a: 17.8207 ± 0.0006 Å
• b: 6.1397 ± 0.0002 Å
• c: 24.7531 ± 0.0008 Å
• α: 90°
• β: 100.451 ± 0.001°
• γ: 90°
• Cell volume: 2663.4 ± 0.15 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• 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: 0.1013
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No