Information card for entry 7121999

Structure parameters

• Formula: C15 H9 N
• Calculated formula: C15 H9 N
• Title of publication: Elastic flexibility tuning via interaction factor modulation in molecular crystals.
• Authors of publication: Mishra, Manish Kumar; Kadambi, Sourabh B.; Ramamurty, Upadrasta; Ghosh, Soumyajit
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 65
• Pages of publication: 9047 - 9050
• a: 3.8727 ± 0.0009 Å
• b: 15.111 ± 0.004 Å
• c: 17.132 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1002.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No