Information card for entry 8106712

Structure parameters

• Formula: C19 H13 N O3
• Calculated formula: C19 H13 N O3
• SMILES: N(=O)(=O)C1=Cc2ccccc2OC1c1ccc2ccccc2c1
• Title of publication: The pseudosymmetric crystal structure of 2-(2-naphthalenyl)-3-nitro-2H-1-benzopyran, C38H26N2O6
• Authors of publication: Hong, Zhi; Zhan, Yan-Li; Yu, Dang-Ran; Li, Ying; Yuan, Wen-Jia; Zhang, Hong-Yu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 893 - 895
• a: 9.4457 ± 0.0006 Å
• b: 11.052 ± 0.0007 Å
• c: 14.6746 ± 0.0009 Å
• α: 100.779 ± 0.001°
• β: 102.738 ± 0.001°
• γ: 93.065 ± 0.001°
• Cell volume: 1460.68 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0615
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No