Information card for entry 1574446

Structure parameters

• Chemical name: orcino_phenazine
• Formula: C21 H20 N2 O3
• Calculated formula: C21 H20 N2 O3
• Title of publication: High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery
• Authors of publication: Metherall, Jessica P.; Corner, Philip A.; McCabe, James F.; Probert, Michael R.; Hall, Michael J.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 9843 - 9853
• a: 7.4821 ± 0.0004 Å
• b: 9.4572 ± 0.0004 Å
• c: 13.6078 ± 0.0007 Å
• α: 83.084 ± 0.004°
• β: 78.243 ± 0.005°
• γ: 68.6 ± 0.005°
• Cell volume: 876.57 ± 0.08 ų
• Cell temperature: 150.11 ± 0.1 K
• Ambient diffraction temperature: 150.11 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No