Crystallography Open Database

Information card for entry 4035629

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Coordinates	4035629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H37 N7 O5
Calculated formula	C29 H37 N7 O5
Title of publication	D-A-D Structured Bis-acylhydrazone Exhibiting Aggregation-Induced Emission, Mechanochromic Luminescence, and Al(III) Detection.
Authors of publication	Santhiya, Kuppusamy; Sen, Shovan K.; Natarajan, Ramalingam; Shankar, Ramasamy; Murugesapandian, Balasubramanian
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	18
Pages of publication	10770 - 10775
a	9.8583 ± 0.0005 Å
b	10.4135 ± 0.0005 Å
c	27.9889 ± 0.0015 Å
α	90°
β	97.161 ± 0.003°
γ	90°
Cell volume	2850.9 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1813
Weighted residual factors for all reflections included in the refinement	0.2057
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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