Crystallography Open Database

Information card for entry 1567548

Preview

Coordinates	1567548.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
279027 (current)	2022-11-07	cif/ Updating files of 1567548 Original log message: Adding full bibliography for 1567548.cif.	1567548.cif
277476	2022-08-31	cif/ Adding structures of 1567548 via cif-deposit CGI script.	1567548.cif