Crystallography Open Database

Information card for entry 7243003

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Coordinates	7243003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 N3
Calculated formula	C12 H11 N3
Title of publication	Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions
Authors of publication	Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	25
Pages of publication	4439 - 4443
a	5.86556 ± 0.00007 Å
b	7.46244 ± 0.00009 Å
c	23.3965 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1024.1 ± 0.02 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290.35 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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