Information card for entry 7121997

Structure parameters

• Formula: C16 H15 Cl2 N O3
• Calculated formula: C16 H15 Cl2 N O3
• 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: 27.733 Å
• b: 4.024 Å
• c: 13.705 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1529.44 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No