Crystallography Open Database

Information card for entry 7247852

Preview

Coordinates	7247852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N O5
Calculated formula	C21 H21 N O5
Title of publication	The mechanochemical synthesis of environmentally benign fully biobased 4th generation benzoxazines and their polymers: mechanistic insights into the catalytic activity of latent catalysts
Authors of publication	Duhan, Vaishaly; Yadav, Shivani; Len, Christophe; Lochab, Bimlesh
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	1
Pages of publication	483 - 497
a	7.9501 ± 0.0004 Å
b	9.2801 ± 0.0006 Å
c	13.4663 ± 0.0008 Å
α	71.289 ± 0.002°
β	83.005 ± 0.002°
γ	81.107 ± 0.002°
Cell volume	926.92 ± 0.09 Å³
Cell temperature	343 K
Ambient diffraction temperature	343 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	0.1485
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2818
Weighted residual factors for all reflections included in the refinement	0.3861
Goodness-of-fit parameter for all reflections included in the refinement	1.4868
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7247852.html