Crystallography Open Database

Information card for entry 7059720

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Coordinates	7059720.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pyrrole derivative
Formula	C28 H25 N3 O5
Calculated formula	C28 H25 N3 O5
Title of publication	A transition metal-free approach towards the regioselective synthesis of β-carboline tethered pyrroles and 2,3-dihydro-1H-pyrroles
Authors of publication	Singh, Manpreet; Paul, Avijit Kumar; Singh, Virender
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	28
Pages of publication	12370 - 12383
a	12.9292 ± 0.0012 Å
b	10.5655 ± 0.001 Å
c	17.6719 ± 0.0016 Å
α	90°
β	92.537 ± 0.002°
γ	90°
Cell volume	2411.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1294
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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