Crystallography Open Database

Information card for entry 7158191

Preview

Coordinates	7158191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H29 N O6 S
Calculated formula	C32 H29 N O6 S
SMILES	S(=O)(=O)(N1[C@@]2([C@](C(=O)c3ccccc3)([C@H]3[C@]1(c1ccccc1)C=CC(=O)C3)C2)C(=O)OCC)c1ccc(cc1)C.S(=O)(=O)(N1[C@]2([C@@](C(=O)c3ccccc3)([C@@H]3[C@@]1(c1ccccc1)C=CC(=O)C3)C2)C(=O)OCC)c1ccc(cc1)C
Title of publication	Diastereoselective desymmetrization reactions of prochiral para-quinamines with cyclopropenes generated in situ: access to fused hydroindol-5-one scaffolds.
Authors of publication	Lodhi, Rajni; Prakash, Meher; Samanta, Sampak
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	33
Pages of publication	7129 - 7133
a	10.7889 ± 0.0003 Å
b	23.8675 ± 0.0005 Å
c	11.6684 ± 0.0005 Å
α	90°
β	113.658 ± 0.004°
γ	90°
Cell volume	2752.14 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1249
Residual factor for significantly intense reflections	0.1028
Weighted residual factors for significantly intense reflections	0.2615
Weighted residual factors for all reflections included in the refinement	0.302
Goodness-of-fit parameter for all reflections included in the refinement	1.64
Diffraction radiation probe	x-ray
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
268935 (current)	2021-09-06	cif/ Updating files of 7158191 Original log message: Adding full bibliography for 7158191.cif.	7158191.cif
267779	2021-07-28	cif/ Adding structures of 7158191 via cif-deposit CGI script.	7158191.cif