Information card for entry 1567548

Structure parameters

• Formula: C22 H17 N O
• Calculated formula: C22 H17 N O
• Title of publication: Ethynylene-linked multifunctional benzoxazines: the effect of the ethynylene group and packing on thermal behavior
• Authors of publication: Muraoka, Masanobu; Goto, Masahide; Minami, Masaki; Zhou, Dayang; Suzuki, Takeyuki; Yajima, Tatsuo; Hayashi, Jun'ichi; Sogawa, Hiromitsu; Sanda, Fumio
• Journal of publication: Polymer Chemistry
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 39
• Pages of publication: 5590 - 5596
• a: 7.4998 ± 0.0013 Å
• b: 11.4895 ± 0.0017 Å
• c: 18.504 ± 0.003 Å
• α: 98.672 ± 0.007°
• β: 96.018 ± 0.007°
• γ: 90.007 ± 0.006°
• Cell volume: 1567.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1258
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No