Crystallography Open Database

Information card for entry 7246529

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Coordinates	7246529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 N3 O3 S
Calculated formula	C19 H21 N3 O3 S
Title of publication	A high Z′ structure of an organic salt with unusually high phase stability, nanoindentation, and mechano and vapo-fluorochromism
Authors of publication	Ahmad, Ishtiyaq; Ganie, Arshid A.; Ahmad, Shamim; Ahangar, Aadil A.; Reddy, C. Malla; Dar, Aijaz A.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	21
Pages of publication	3164 - 3170
a	17.0057 ± 0.0019 Å
b	47.058 ± 0.004 Å
c	35.948 ± 0.004 Å
α	90°
β	96.993 ± 0.004°
γ	90°
Cell volume	28554 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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