Information card for entry 1551556

Structure parameters

• Chemical name: (2E)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one
• Formula: C23 H15 N O3
• Calculated formula: C23 H15 N O3
• SMILES: c1(N(=O)=O)cccc(c1)/C=C/C(=O)c1c2c(cc3c1cccc3)cccc2
• Title of publication: Crystal Structure of (2<i>E</i>)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one
• Authors of publication: RAINA, Ankit; SALIAN, Vinutha V.; NARAYANA, B.; SAROJINI, B. K.; KANT, Rajni
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2018
• Journal volume: 34
• Journal issue: 0
• Pages of publication: 5
• a: 6.9988 ± 0.0007 Å
• b: 11.4808 ± 0.0011 Å
• c: 21.7608 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1748.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No