Crystallography Open Database

Information card for entry 7122265

Preview

Coordinates	7122265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N16 O11
Calculated formula	C12 H18 N16 O11
Title of publication	A C-C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance.
Authors of publication	Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	75
Pages of publication	10566 - 10569
a	10.847 ± 0.0003 Å
b	14.2197 ± 0.0005 Å
c	14.3756 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2217.31 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/7122265.html