Crystallography Open Database

Information card for entry 7158027

Preview

Coordinates	7158027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O4
Calculated formula	C18 H18 N2 O4
SMILES	O=C(OCC)c1[nH]nc2c1c1c(C2O)ccc2c1cccc2.OC
Title of publication	A facile and metal-free domino reaction of TsDAM and 2-alkenylarylaldehyde: An easy access to 8-hydroxy-2,8-dihydro indeno [2,1-<i>c</i>]pyrazoles.
Authors of publication	Ramu, Gopathi; Kodiripaka, Bheeshma Geetanjali; Raga Chaitanya, Kalakonda; Nagendra Babu, Bathini
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	18
Pages of publication	4118 - 4125
a	8.755 ± 0.003 Å
b	9.844 ± 0.003 Å
c	10.982 ± 0.004 Å
α	111.2 ± 0.012°
β	98.323 ± 0.012°
γ	105.109 ± 0.011°
Cell volume	821.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0633
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
266170 (current)	2021-06-05	cif/ Updating files of 7158027 Original log message: Adding full bibliography for 7158027.cif.	7158027.cif
264272	2021-04-17	cif/ Adding structures of 7158027 via cif-deposit CGI script.	7158027.cif