Crystallography Open Database

Information card for entry 4024139

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Structure parameters

Formula	C31 H37 N O2
Calculated formula	C31 H37 N O2
Title of publication	Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes
Authors of publication	Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	6786 - 6791
a	21.341 ± 0.002 Å
b	9.6458 ± 0.0007 Å
c	13.273 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2732.2 ± 0.4 Å³
Cell temperature	296.2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.2123
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuK'a
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301812 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure.	4024139.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4024139.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024139.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024139.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024139.cif
823	2009-09-25	cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications.	4024139.cif