Information card for entry 7151927

Structure parameters

• Chemical name: N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin- 4-ylmethylene-hydrazine hydrate
• Formula: C22 H19 N5 O2
• Calculated formula: C22 H19 N5 O2
• SMILES: [nH]1c(c2cccn2c2ccc(cc12)OC)=NN=Cc1c2ccccc2ncc1.O
• Title of publication: Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.
• Authors of publication: Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 14
• Pages of publication: 5137 - 5148
• a: 4.8025 ± 0.0002 Å
• b: 11.5872 ± 0.0008 Å
• c: 33.05 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1839.15 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No