Crystallography Open Database

Information card for entry 7055127

Preview

Coordinates	7055127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N2 O4
Calculated formula	C26 H24 N2 O4
SMILES	c12c(c(C)[nH]n1)C1(C(=O)c3ccccc3c3ccccc13)C1=C(CC(CC1=O)(C)C)O2.O
Title of publication	Expeditious synthesis of functionalized tricyclic 4-spiro pyrano[2,3-c]pyrazoles in aqueous medium using dodecylbenzenesulphonic acid as a Brønsted acid‒surfactant-combined catalyst
Authors of publication	Mukherjee, Prasun; Paul, Sanjay; Das, Asish R.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	12
Pages of publication	9480
a	7.817 ± 0.0008 Å
b	9.4031 ± 0.001 Å
c	16.4402 ± 0.0017 Å
α	73.821 ± 0.003°
β	81.557 ± 0.003°
γ	69.541 ± 0.003°
Cell volume	1085.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0616
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.1066
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
171303 (current)	2015-12-09	cif/ Updating files of 7055124, 7055125, 7055126, 7055127 Original log message: Adding full bibliography for 7055124--7055127.cif.	7055127.cif
158417	2015-09-26	cif/ Adding structures of 7055124, 7055125, 7055126, 7055127 via cif-deposit CGI script.	7055127.cif