Crystallography Open Database

Information card for entry 7055862

Preview

Coordinates	7055862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 Br N3 O4
Calculated formula	C25 H26 Br N3 O4
SMILES	N(C(C)(C)C)C(=O)c1n(c(=O)c(c2cc[nH]c12)c1ccc(cc1)OC)c1ccc(Br)cc1.O
Title of publication	Efficient synthesis of novel pyrrolo[2,3-c]pyridone derivatives using the Ugi four-component reaction followed by condensation reaction
Authors of publication	VenkataPrasad, Jalli; Krishnamurthy, Suvratha; Moriguchi, Tetsuji; Tsuge, Akihiko
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	1
Pages of publication	97
a	17.72 ± 0.004 Å
b	9.681 ± 0.002 Å
c	27.874 ± 0.006 Å
α	90°
β	107.915 ± 0.002°
γ	90°
Cell volume	4549.9 ± 1.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.1273
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203412 (current)	2017-11-21	cif/7 Fixing Z values and formulae accordingly.	7055862.cif
191718	2017-02-04	cif/ Updating files of 7055862 Original log message: Adding full bibliography for 7055862.cif.	7055862.cif
188347	2016-11-09	cif/ Adding structures of 7055862 via cif-deposit CGI script.	7055862.cif