Crystallography Open Database

Information card for entry 7061132

Preview

Coordinates	7061132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N2 O3
Calculated formula	C34 H30 N2 O3
Title of publication	Design, synthesis via a one-pot approach and molecular docking studies of novel pyrrolo[2,1-a]isoquinoline derivatives
Authors of publication	Boruah, Dhruba Jyoti; Kathirvelan, Devarajan; Borra, Satheesh; Maurya, Ram Awatar; Yuvaraj, Panneerselvam
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	2
Pages of publication	792 - 797
a	9.5632 ± 0.0001 Å
b	17.8067 ± 0.0003 Å
c	16.1958 ± 0.0003 Å
α	90°
β	103.463 ± 0.001°
γ	90°
Cell volume	2682.18 ± 0.07 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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