Crystallography Open Database

Information card for entry 7059019

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Structure parameters

Formula	C14 H10 N14 O5
Calculated formula	C14 H10 N14 O5
Title of publication	TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties
Authors of publication	Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	48
Pages of publication	19180 - 19185
a	17.868 ± 0.004 Å
b	6.8028 ± 0.0014 Å
c	15.914 ± 0.003 Å
α	90°
β	104.01 ± 0.03°
γ	90°
Cell volume	1876.8 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	4
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	0.1167
Residual factor for significantly intense reflections	0.0945
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.1917
Goodness-of-fit parameter for all reflections included in the refinement	1.239
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7059019.cif
301442	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7059019.cif
223444	2019-11-07	cif/ Adding structures of 7059017, 7059018, 7059019 via cif-deposit CGI script.	7059019.cif