Crystallography Open Database

Information card for entry 7158034

Preview

Coordinates	7158034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Cl N O5
Calculated formula	C28 H20 Cl N O5
SMILES	Clc1c(cccc1)[C@@H]1C=C([C@]2(C(=O)N(c3c2cccc3)C)[C@@]21Oc1c(C2=O)cccc1)C(=O)OC.Clc1c(cccc1)[C@H]1C=C([C@@]2(C(=O)N(c3c2cccc3)C)[C@]21Oc1c(C2=O)cccc1)C(=O)OC
Title of publication	An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.
Authors of publication	Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	19
Pages of publication	4338 - 4345
a	9.8464 ± 0.0015 Å
b	16.367 ± 0.002 Å
c	14.348 ± 0.002 Å
α	90°
β	94.553 ± 0.006°
γ	90°
Cell volume	2305 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0583
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
266163 (current)	2021-06-05	cif/ Updating files of 7158031, 7158032, 7158033, 7158034 Original log message: Adding full bibliography for 7158031--7158034.cif.	7158034.cif
264385	2021-04-22	cif/ Adding structures of 7158031, 7158032, 7158033, 7158034 via cif-deposit CGI script.	7158034.cif