Information card for entry 2241835

Structure parameters

• Common name: BHQMBD
• Chemical name: 9,9'-{(1<i>E</i>,1'<i>E</i>)-[1,4-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol)
• Formula: C32 H34 N4 O2
• Calculated formula: C32 H34 N4 O2
• SMILES: c1(/N=C/c2cc3CCCN4c3c(CCC4)c2O)ccc(cc1)/N=C/c1cc2CCCN3c2c(CCC3)c1O
• Title of publication: Crystal structure of 9,9'-{(1<i>E</i>,1'<i>E</i>)-[1,4-phenylenebis(azanylylidene)]bis(methanylylidene)}bis(2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolin-8-ol)
• Authors of publication: Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1366 - 1369
• a: 5.1776 ± 0.0003 Å
• b: 27.9346 ± 0.0017 Å
• c: 8.7893 ± 0.0006 Å
• α: 90°
• β: 96.203 ± 0.002°
• γ: 90°
• Cell volume: 1263.79 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes