Crystallography Open Database

Information card for entry 7243460

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Coordinates	7243460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 N5 O9
Calculated formula	C33 H29 N5 O9
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	7.1375 ± 0.0007 Å
b	12.3754 ± 0.0011 Å
c	19.214 ± 0.0016 Å
α	94.647 ± 0.007°
β	98.852 ± 0.007°
γ	98.195 ± 0.008°
Cell volume	1650.6 ± 0.3 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	0.2393
Residual factor for significantly intense reflections	0.1364
Weighted residual factors for significantly intense reflections	0.283
Weighted residual factors for all reflections included in the refinement	0.3282
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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