Crystallography Open Database

Information card for entry 7213263

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Structure parameters

Common name	RWX0441/Wilson/NW-G058/5107/24-4-97.
Formula	C21 H27 N O2
Calculated formula	C21 H27 N O2
Title of publication	Atroposelective attack of nucleophiles on 2-formyl-1-naphthamides and their derivatives: chelation and non-chelation control
Authors of publication	Clayden, Jonathan; McCarthy, Catherine; Westlund, Neil; Frampton, Christopher S.
Journal of publication	Journal of the Chemical Society, Perkin Transactions 1
Year of publication	2000
Journal issue	9
Pages of publication	1363
a	11.4254 ± 0.0004 Å
b	20.1558 ± 0.0006 Å
c	16.4936 ± 0.0005 Å
α	90°
β	99.506 ± 0.001°
γ	90°
Cell volume	3746.1 ± 0.2 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7213263.cif
180463	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/32.	7213263.cif
95980	2014-01-28	cif/ Adding structures of 7213262, 7213263, 7213264 via cif-deposit CGI script.	7213263.cif