Crystallography Open Database

Information card for entry 7158029

Preview

Coordinates	7158029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 N2 O4 P
Calculated formula	C26 H23 N2 O4 P
SMILES	P(=O)(OC)(OC)c1[nH]nc(C(=C\C(=O)c2ccccc2)/c2ccccc2)c1c1ccccc1
Title of publication	Regioselective synthesis of functionalized pyrazole-chalcones <i>via</i> a base mediated reaction of diazo compounds with pyrylium salts.
Authors of publication	Devi, Lalita; Sharma, Gaurav; Kant, Ruchir; Shukla, Sanjeev K.; Rastogi, Namrata
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	18
Pages of publication	4132 - 4136
a	8.83667 ± 0.00015 Å
b	12.0256 ± 0.0002 Å
c	12.1039 ± 0.0002 Å
α	83.6482 ± 0.0015°
β	74.9958 ± 0.0016°
γ	70.8882 ± 0.0016°
Cell volume	1173.43 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.2085
Weighted residual factors for all reflections included in the refinement	0.2172
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266171 (current)	2021-06-05	cif/ Updating files of 7158029 Original log message: Adding full bibliography for 7158029.cif.	7158029.cif
264334	2021-04-20	cif/ Adding structures of 7158029 via cif-deposit CGI script.	7158029.cif