Crystallography Open Database

Information card for entry 1512090

1512089 << 1512090 >> 1512091

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Structure parameters

Formula	C28 H37 N O5 Si
Calculated formula	C28 H37 N O5 Si
SMILES	[Si](n1c2ccccc2c(c1)[C@@H](c1ccc(OC)cc1)CC(C(=O)OC)C(=O)OC)(C)(C)C(C)(C)C
Title of publication	Asymmetric Synthesis of Indole Homo-Michael Adducts via Dynamic Kinetic Friedel–Crafts Alkylation with Cyclopropanes
Authors of publication	Wales, Steven M.; Walker, Morgan M.; Johnson, Jeffrey S.
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	10
Pages of publication	2558
a	7.5725 ± 0.0003 Å
b	15.488 ± 0.0006 Å
c	11.7937 ± 0.0005 Å
α	90°
β	100.558 ± 0.001°
γ	90°
Cell volume	1359.78 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1512090.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512090.cif
87220	2013-07-14	cif/ Adding structures of 1512090 via cif-deposit CGI script.	1512090.cif