Information card for entry 7250810

Structure parameters

• Formula: C14 H17 B F4 N2 Se2
• Calculated formula: C14 H17 B F4 N2 Se2
• Title of publication: Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium
• Authors of publication: Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 37
• Pages of publication: 6163 - 6173
• a: 14.7071 ± 0.0009 Å
• b: 7.754 ± 0.0005 Å
• c: 15.6954 ± 0.0011 Å
• α: 90°
• β: 111.348 ± 0.007°
• γ: 90°
• Cell volume: 1667.1 ± 0.2 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 6
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No