Information card for entry 7247516

Structure parameters

• Chemical name: (Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile
• Formula: C27 H17 N
• Calculated formula: C27 H17 N
• SMILES: N#C/C(=C\c1c2ccccc2cc2ccccc12)c1cc2ccccc2cc1
• Title of publication: Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism
• Authors of publication: Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 45
• Pages of publication: 6303 - 6309
• a: 20.818 ± 0.004 Å
• b: 5.388 ± 0.0011 Å
• c: 17.241 ± 0.003 Å
• α: 90°
• β: 107.1 ± 0.03°
• γ: 90°
• Cell volume: 1848.4 ± 0.7 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No