Crystallography Open Database

Information card for entry 7243457

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Coordinates	7243457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H21 N2 O4
Calculated formula	C31 H21 N2 O4
Title of publication	5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence
Authors of publication	Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	39
Pages of publication	6952 - 6966
a	8.8551 ± 0.0007 Å
b	9.9074 ± 0.0007 Å
c	14.9941 ± 0.0012 Å
α	103.891 ± 0.006°
β	95.539 ± 0.006°
γ	112.603 ± 0.007°
Cell volume	1152.44 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1642
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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